N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen

C22H26N8O — CID 142350834

IUPACN-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen
SMILES[H]/N=C(/c1cccc(C(=O)Nc2cncc(-n3cnc(C4CC4)c3)c2)n1)N(/C=N/[H])C(C)C.[H][H]
InChIInChI=1S/C22H24N8O.H2/c1-14(2)30(12-23)21(24)18-4-3-5-19(28-18)22(31)27-16-8-17(10-25-9-16)29-11-20(26-13-29)15-6-7-15;/h3-5,8-15,23-24H,6-7H2,1-2H3,(H,27,31);1H/b23-12+,24-21-;
InChIKeyFCTKSAXBHUTDMW-CARUOGPLSA-N
MW418.51 g/mol
LogP3.68
Rot. Bonds7

About N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen

N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen (PubChem CID 142350834) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen
PubChem CID142350834
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC NameN-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen
SMILES[H]/N=C(/c1cccc(C(=O)Nc2cncc(-n3cnc(C4CC4)c3)c2)n1)N(/C=N/[H])C(C)C.[H][H]
InChIInChI=1S/C22H24N8O.H2/c1-14(2)30(12-23)21(24)18-4-3-5-19(28-18)22(31)27-16-8-17(10-25-9-16)29-11-20(26-13-29)15-6-7-15;/h3-5,8-15,23-24H,6-7H2,1-2H3,(H,27,31);1H/b23-12+,24-21-;
InChIKeyFCTKSAXBHUTDMW-CARUOGPLSA-N
XLogP3.68
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
CID 134533164
6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
CID 166763673
3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide
CID 155359332
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]isoquinoline-3-carboxamide
CID 142483411
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-(pyrrolidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 142483703
5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 155748063
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
CID 142483504
6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
CID 155748043
6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
CID 134410100
N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide
CID 155748058
N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen
CID 155748009

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen (CID 142350834) is N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen is [H]/N=C(/c1cccc(C(=O)Nc2cncc(-n3cnc(C4CC4)c3)c2)n1)N(/C=N/[H])C(C)C.[H][H].
What is the InChIKey of N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen?
The InChIKey is FCTKSAXBHUTDMW-CARUOGPLSA-N. The full InChI is InChI=1S/C22H24N8O.H2/c1-14(2)30(12-23)21(24)18-4-3-5-19(28-18)22(31)27-16-8-17(10-25-9-16)29-11-20(26-13-29)15-6-7-15;/h3-5,8-15,23-24H,6-7H2,1-2H3,(H,27,31);1H/b23-12+,24-21-;.
What are the key properties of N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen?
N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen has a molecular weight of 418.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 142350834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).