N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide

C24H25N7O — CID 134533164

IUPACN-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
SMILES[H]/N=C(/c1cccc(C(=O)Nc2cc(-c3ccc(C4CC4)nc3)ccn2)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C24H25N7O/c1-15(2)31(14-25)23(26)20-4-3-5-21(29-20)24(32)30-22-12-17(10-11-27-22)18-8-9-19(28-13-18)16-6-7-16/h3-5,8-16,25-26H,6-7H2,1-2H3,(H,27,30,32)/b25-14+,26-23-
InChIKeyCXLGUOUZISGISJ-YMAOWCHGSA-N
MW427.51 g/mol
LogP4.31
Rot. Bonds7

About N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide

N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide (PubChem CID 134533164) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
PubChem CID134533164
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC NameN-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
SMILES[H]/N=C(/c1cccc(C(=O)Nc2cc(-c3ccc(C4CC4)nc3)ccn2)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C24H25N7O/c1-15(2)31(14-25)23(26)20-4-3-5-21(29-20)24(32)30-22-12-17(10-11-27-22)18-8-9-19(28-13-18)16-6-7-16/h3-5,8-16,25-26H,6-7H2,1-2H3,(H,27,30,32)/b25-14+,26-23-
InChIKeyCXLGUOUZISGISJ-YMAOWCHGSA-N
XLogP4.31
TPSA118.71 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 ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide (CID 134533164) is N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide is [H]/N=C(/c1cccc(C(=O)Nc2cc(-c3ccc(C4CC4)nc3)ccn2)n1)N(/C=N/[H])C(C)C.
What is the InChIKey of N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide?
The InChIKey is CXLGUOUZISGISJ-YMAOWCHGSA-N. The full InChI is InChI=1S/C24H25N7O/c1-15(2)31(14-25)23(26)20-4-3-5-21(29-20)24(32)30-22-12-17(10-11-27-22)18-8-9-19(28-13-18)16-6-7-16/h3-5,8-16,25-26H,6-7H2,1-2H3,(H,27,30,32)/b25-14+,26-23-.
What are the key properties of N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide?
N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide is sourced from PubChem (CID 134533164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).