4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide

C15H17N5O — CID 62969464

IUPAC4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide
SMILES[H]/N=C(\N)c1cccc(N(C)c2ccnc(C(=O)NC)c2)c1
InChIInChI=1S/C15H17N5O/c1-18-15(21)13-9-12(6-7-19-13)20(2)11-5-3-4-10(8-11)14(16)17/h3-9H,1-2H3,(H3,16,17)(H,18,21)
InChIKeySMHNMSJYHJGVBR-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.49
Rot. Bonds4

About 4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide

4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide (PubChem CID 62969464) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide
PubChem CID62969464
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide
SMILES[H]/N=C(\N)c1cccc(N(C)c2ccnc(C(=O)NC)c2)c1
InChIInChI=1S/C15H17N5O/c1-18-15(21)13-9-12(6-7-19-13)20(2)11-5-3-4-10(8-11)14(16)17/h3-9H,1-2H3,(H3,16,17)(H,18,21)
InChIKeySMHNMSJYHJGVBR-UHFFFAOYSA-N
XLogP1.49
TPSA95.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide
CID 62971035
4-[(3-amino-3-iminopropyl)-propan-2-ylamino]-N-methylpyridine-2-carboxamide
CID 54996820
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide
CID 62971388
3-[(5-bromo-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 55137507
3-amino-6-(3-carbamimidoylphenyl)-N-methylpyrazine-2-carboxamide
CID 68650453
4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide
CID 113482500
4-[(4-aminocyclohexyl)-methylamino]-N-methylpyridine-2-carboxamide
CID 79116085
methyl N-[(3-carbamimidoylphenyl)-methylsulfamoyl]carbamate
CID 114467313
N-methyl-4-[methyl(pyridine-4-carbonyl)amino]pyridine-2-carboxamide
CID 174187705
3-[(6-ethylpyrimidin-4-yl)-methylamino]benzenecarboximidamide
CID 62970344
4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
(2S)-2-(3-carbamimidoyl-N-methylanilino)propanoic acid;hydrochloride
CID 86675966

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide (CID 62969464) is 4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide is [H]/N=C(\N)c1cccc(N(C)c2ccnc(C(=O)NC)c2)c1.
What is the InChIKey of 4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide?
The InChIKey is SMHNMSJYHJGVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-18-15(21)13-9-12(6-7-19-13)20(2)11-5-3-4-10(8-11)14(16)17/h3-9H,1-2H3,(H3,16,17)(H,18,21).
What are the key properties of 4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide?
4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide has a molecular weight of 283.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62969464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).