3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide

C24H25N7O — CID 155359332

IUPAC3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cccc(-n3cnc(C4CC4)c3)c2C)n1)N(/C=N/[H])C1CC1
InChIInChI=1S/C24H25N7O/c1-15-18(4-2-6-21(15)30-12-20(27-14-30)16-8-9-16)24(32)29-22-7-3-5-19(28-22)23(26)31(13-25)17-10-11-17/h2-7,12-14,16-17,25-26H,8-11H2,1H3,(H,28,29,32)/b25-13+,26-23-
InChIKeyIWHPEQYQGIKYBZ-SCHRPIHLSA-N
MW427.51 g/mol
LogP4.10
Rot. Bonds7

About 3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide

3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide (PubChem CID 155359332) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide
PubChem CID155359332
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cccc(-n3cnc(C4CC4)c3)c2C)n1)N(/C=N/[H])C1CC1
InChIInChI=1S/C24H25N7O/c1-15-18(4-2-6-21(15)30-12-20(27-14-30)16-8-9-16)24(32)29-22-7-3-5-19(28-22)23(26)31(13-25)17-10-11-17/h2-7,12-14,16-17,25-26H,8-11H2,1H3,(H,28,29,32)/b25-13+,26-23-
InChIKeyIWHPEQYQGIKYBZ-SCHRPIHLSA-N
XLogP4.10
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
CID 142350849
N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen
CID 142350834
6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
CID 155148594
N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen
CID 142472157
6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
CID 166763673
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)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 142472118
5-(4-cyclopropylimidazol-1-yl)-N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 142417486
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
(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-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)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386013

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide (CID 155359332) is 3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide is [H]/N=C(/c1cccc(NC(=O)c2cccc(-n3cnc(C4CC4)c3)c2C)n1)N(/C=N/[H])C1CC1.
What is the InChIKey of 3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide?
The InChIKey is IWHPEQYQGIKYBZ-SCHRPIHLSA-N. The full InChI is InChI=1S/C24H25N7O/c1-15-18(4-2-6-21(15)30-12-20(27-14-30)16-8-9-16)24(32)29-22-7-3-5-19(28-22)23(26)31(13-25)17-10-11-17/h2-7,12-14,16-17,25-26H,8-11H2,1H3,(H,28,29,32)/b25-13+,26-23-.
What are the key properties of 3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide?
3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 427.51 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 155359332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).