N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide

C22H24N8O — CID 142350849

IUPACN-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
SMILES[H]/N=C(/c1cccc(C(=O)Nc2cc(-n3cnc(C4CC4)c3)ccn2)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C22H24N8O/c1-14(2)30(12-23)21(24)17-4-3-5-18(27-17)22(31)28-20-10-16(8-9-25-20)29-11-19(26-13-29)15-6-7-15/h3-5,8-15,23-24H,6-7H2,1-2H3,(H,25,28,31)/b23-12+,24-21-
InChIKeyHCCNQWMFLZRAMU-VCASSKIBSA-N
MW416.49 g/mol
LogP3.43
Rot. Bonds7

About N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide

N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide (PubChem CID 142350849) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
PubChem CID142350849
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
SMILES[H]/N=C(/c1cccc(C(=O)Nc2cc(-n3cnc(C4CC4)c3)ccn2)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C22H24N8O/c1-14(2)30(12-23)21(24)17-4-3-5-18(27-17)22(31)28-20-10-16(8-9-25-20)29-11-19(26-13-29)15-6-7-15/h3-5,8-15,23-24H,6-7H2,1-2H3,(H,25,28,31)/b23-12+,24-21-
InChIKeyHCCNQWMFLZRAMU-VCASSKIBSA-N
XLogP3.43
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.43
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-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen
CID 142350834
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
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
2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide
CID 154991723
6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
CID 155748043
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide
CID 142442235
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 66851754
4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 70802176

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide (CID 142350849) is N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide is [H]/N=C(/c1cccc(C(=O)Nc2cc(-n3cnc(C4CC4)c3)ccn2)n1)N(/C=N/[H])C(C)C.
What is the InChIKey of N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide?
The InChIKey is HCCNQWMFLZRAMU-VCASSKIBSA-N. The full InChI is InChI=1S/C22H24N8O/c1-14(2)30(12-23)21(24)17-4-3-5-18(27-17)22(31)28-20-10-16(8-9-25-20)29-11-19(26-13-29)15-6-7-15/h3-5,8-15,23-24H,6-7H2,1-2H3,(H,25,28,31)/b23-12+,24-21-.
What are the key properties of N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide?
N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide is sourced from PubChem (CID 142350849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).