N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide

C22H25N7O2 — CID 153359403

IUPACN-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cc(-c3cc(C4CC4)no3)c(C)cn2)n1)N(N)C(C)C
InChIInChI=1S/C22H25N7O2/c1-12(2)29(24)21(23)16-5-4-6-20(26-16)27-22(30)18-9-15(13(3)11-25-18)19-10-17(28-31-19)14-7-8-14/h4-6,9-12,14,23H,7-8,24H2,1-3H3,(H,26,27,30)/b23-21-
InChIKeyXNWZQYXJWLZMKA-LNVKXUELSA-N
MW419.49 g/mol
LogP3.48
Rot. Bonds6

About N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide

N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide (PubChem CID 153359403) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide
PubChem CID153359403
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cc(-c3cc(C4CC4)no3)c(C)cn2)n1)N(N)C(C)C
InChIInChI=1S/C22H25N7O2/c1-12(2)29(24)21(23)16-5-4-6-20(26-16)27-22(30)18-9-15(13(3)11-25-18)19-10-17(28-31-19)14-7-8-14/h4-6,9-12,14,23H,7-8,24H2,1-3H3,(H,26,27,30)/b23-21-
InChIKeyXNWZQYXJWLZMKA-LNVKXUELSA-N
XLogP3.48
TPSA134.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Related Compounds

N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-cyclopropyl-5-fluoro-1,3-benzothiazole-6-carboxamide
CID 142483454
7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
CID 142483705
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]isoquinoline-3-carboxamide
CID 142483411
N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 142483785
N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
CID 134533164
N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide
CID 153359381
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
N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
CID 142350849
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide
CID 142483418
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
3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide
CID 155359332
N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-6-methoxy-2-(3-methoxypropanoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 142483769

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide (CID 153359403) is N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide is [H]/N=C(/c1cccc(NC(=O)c2cc(-c3cc(C4CC4)no3)c(C)cn2)n1)N(N)C(C)C.
What is the InChIKey of N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide?
The InChIKey is XNWZQYXJWLZMKA-LNVKXUELSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-12(2)29(24)21(23)16-5-4-6-20(26-16)27-22(30)18-9-15(13(3)11-25-18)19-10-17(28-31-19)14-7-8-14/h4-6,9-12,14,23H,7-8,24H2,1-3H3,(H,26,27,30)/b23-21-.
What are the key properties of N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide?
N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 153359403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).