N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide

C22H29N9O — CID 153359381

IUPACN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(N(N)/C(=N\N)C(C)C)n2)cc1-c1cn(C(C)C)cn1
InChIInChI=1S/C22H29N9O/c1-13(2)21(29-23)31(24)20-8-6-7-19(27-20)28-22(32)17-9-16(15(5)10-25-17)18-11-30(12-26-18)14(3)4/h6-14H,23-24H2,1-5H3,(H,27,28,32)/b29-21-
InChIKeyMPCIFYRJVRIYLG-ANYBSYGZSA-N
MW435.54 g/mol
LogP3.09
Rot. Bonds6

About N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide

N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide (PubChem CID 153359381) has the molecular formula C22H29N9O and a molecular weight of 435.54 g/mol. Its IUPAC name is N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide
PubChem CID153359381
Molecular FormulaC22H29N9O
Molecular Weight435.54 g/mol
Exact Mass435.25
IUPAC NameN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(N(N)/C(=N\N)C(C)C)n2)cc1-c1cn(C(C)C)cn1
InChIInChI=1S/C22H29N9O/c1-13(2)21(29-23)31(24)20-8-6-7-19(27-20)28-22(32)17-9-16(15(5)10-25-17)18-11-30(12-26-18)14(3)4/h6-14H,23-24H2,1-5H3,(H,27,28,32)/b29-21-
InChIKeyMPCIFYRJVRIYLG-ANYBSYGZSA-N
XLogP3.09
TPSA140.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide (CID 153359381) is N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2cccc(N(N)/C(=N\N)C(C)C)n2)cc1-c1cn(C(C)C)cn1.
What is the InChIKey of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide?
The InChIKey is MPCIFYRJVRIYLG-ANYBSYGZSA-N. The full InChI is InChI=1S/C22H29N9O/c1-13(2)21(29-23)31(24)20-8-6-7-19(27-20)28-22(32)17-9-16(15(5)10-25-17)18-11-30(12-26-18)14(3)4/h6-14H,23-24H2,1-5H3,(H,27,28,32)/b29-21-.
What are the key properties of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide?
N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 153359381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).