5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide

C13H13N5O2 — CID 135223514

IUPAC5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)NCc2ccncc2)cn1
InChIInChI=1S/C13H13N5O2/c14-12(19)11-2-1-10(8-16-11)18-13(20)17-7-9-3-5-15-6-4-9/h1-6,8H,7H2,(H2,14,19)(H2,17,18,20)
InChIKeyFZZNFYPFMMSFPV-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.90
Rot. Bonds4

About 5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide

5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide (PubChem CID 135223514) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide
PubChem CID135223514
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)NCc2ccncc2)cn1
InChIInChI=1S/C13H13N5O2/c14-12(19)11-2-1-10(8-16-11)18-13(20)17-7-9-3-5-15-6-4-9/h1-6,8H,7H2,(H2,14,19)(H2,17,18,20)
InChIKeyFZZNFYPFMMSFPV-UHFFFAOYSA-N
XLogP0.90
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191552
1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea
CID 21454522
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
CID 142402002
CID 142402002
1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012942
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
2-hydroxy-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61200541

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide?
The IUPAC name of 5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide (CID 135223514) is 5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide.
What is the SMILES notation for 5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide?
The canonical SMILES for 5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide is NC(=O)c1ccc(NC(=O)NCc2ccncc2)cn1.
What is the InChIKey of 5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide?
The InChIKey is FZZNFYPFMMSFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-12(19)11-2-1-10(8-16-11)18-13(20)17-7-9-3-5-15-6-4-9/h1-6,8H,7H2,(H2,14,19)(H2,17,18,20).
What are the key properties of 5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide?
5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide is sourced from PubChem (CID 135223514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).