N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide

C18H16N6O2 — CID 66971557

IUPACN-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)Nc1cc(NC(=O)c2ccccn2)ccn1
InChIInChI=1S/C18H16N6O2/c25-17(15-6-2-4-9-20-15)23-13-7-10-21-16(11-13)24-18(26)22-12-14-5-1-3-8-19-14/h1-11H,12H2,(H3,21,22,23,24,25,26)
InChIKeyAZNAULDRAKPLKF-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide

N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide (PubChem CID 66971557) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide
PubChem CID66971557
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)Nc1cc(NC(=O)c2ccccn2)ccn1
InChIInChI=1S/C18H16N6O2/c25-17(15-6-2-4-9-20-15)23-13-7-10-21-16(11-13)24-18(26)22-12-14-5-1-3-8-19-14/h1-11H,12H2,(H3,21,22,23,24,25,26)
InChIKeyAZNAULDRAKPLKF-UHFFFAOYSA-N
XLogP2.45
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide
CID 59618071
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212856
4-(3,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212720
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109201520
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191402
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171792
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927
5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61405707

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide (CID 66971557) is N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide is O=C(NCc1ccccn1)Nc1cc(NC(=O)c2ccccn2)ccn1.
What is the InChIKey of N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide?
The InChIKey is AZNAULDRAKPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c25-17(15-6-2-4-9-20-15)23-13-7-10-21-16(11-13)24-18(26)22-12-14-5-1-3-8-19-14/h1-11H,12H2,(H3,21,22,23,24,25,26).
What are the key properties of N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide?
N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 66971557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).