N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen

C24H30FN7O — CID 142472157

IUPACN-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen
SMILES[H]/N=C(\C(C)C)N(CN)c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1.[H][H]
InChIInChI=1S/C24H28FN7O.H2/c1-14(2)23(27)32(12-26)22-6-4-5-21(29-22)30-24(33)17-10-20(15(3)9-18(17)25)31-11-19(28-13-31)16-7-8-16;/h4-6,9-11,13-14,16,27H,7-8,12,26H2,1-3H3,(H,29,30,33);1H/b27-23+;
InChIKeyUCXBXAUNDHVJAC-VZXOMLSWSA-N
MW451.55 g/mol
LogP4.45
Rot. Bonds7

About N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen

N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen (PubChem CID 142472157) has the molecular formula C24H30FN7O and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen.

Molecular Properties

Compound NameN-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen
PubChem CID142472157
Molecular FormulaC24H30FN7O
Molecular Weight451.55 g/mol
Exact Mass451.25
IUPAC NameN-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen
SMILES[H]/N=C(\C(C)C)N(CN)c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1.[H][H]
InChIInChI=1S/C24H28FN7O.H2/c1-14(2)23(27)32(12-26)22-6-4-5-21(29-22)30-24(33)17-10-20(15(3)9-18(17)25)31-11-19(28-13-31)16-7-8-16;/h4-6,9-11,13-14,16,27H,7-8,12,26H2,1-3H3,(H,29,30,33);1H/b27-23+;
InChIKeyUCXBXAUNDHVJAC-VZXOMLSWSA-N
XLogP4.45
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 142472118
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(Z)-N'-hydrazinylcarbamimidoyl]-2-pyridinyl]-4-methylbenzamide;ethane;molecular hydrogen
CID 142472152
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[1-[(2S)-1-fluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]-4-methylbenzamide
CID 158056694
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide
CID 142472165
6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
CID 155148594
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 71245263
(E)-but-2-enedioic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 121439236
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide
CID 142417497
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386013
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386012
5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 159386015

Frequently Asked Questions

What is the IUPAC name of N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen?
The IUPAC name of N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen (CID 142472157) is N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen.
What is the SMILES notation for N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen?
The canonical SMILES for N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen is [H]/N=C(\C(C)C)N(CN)c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1.[H][H].
What is the InChIKey of N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen?
The InChIKey is UCXBXAUNDHVJAC-VZXOMLSWSA-N. The full InChI is InChI=1S/C24H28FN7O.H2/c1-14(2)23(27)32(12-26)22-6-4-5-21(29-22)30-24(33)17-10-20(15(3)9-18(17)25)31-11-19(28-13-31)16-7-8-16;/h4-6,9-11,13-14,16,27H,7-8,12,26H2,1-3H3,(H,29,30,33);1H/b27-23+;.
What are the key properties of N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen?
N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen has a molecular weight of 451.55 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen is sourced from PubChem (CID 142472157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).