N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C20H16N6O — CID 109307431

IUPACN-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C20H16N6O/c27-19(24-13-14-4-2-9-21-12-14)17-8-11-23-20(26-17)25-16-7-1-5-15-6-3-10-22-18(15)16/h1-12H,13H2,(H,24,27)(H,23,25,26)
InChIKeyHJRMIOXAECIWMK-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.09
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109307431) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109307431
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC NameN-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C20H16N6O/c27-19(24-13-14-4-2-9-21-12-14)17-8-11-23-20(26-17)25-16-7-1-5-15-6-3-10-22-18(15)16/h1-12H,13H2,(H,24,27)(H,23,25,26)
InChIKeyHJRMIOXAECIWMK-UHFFFAOYSA-N
XLogP3.09
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109304422
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109307362
N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
methyl 3-[[4-(pyridin-3-ylmethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109307412
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
2-[(4-fluorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109305502
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307651
N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315229

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109307431) is N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is O=C(NCc1cccnc1)c1ccnc(Nc2cccc3cccnc23)n1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is HJRMIOXAECIWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c27-19(24-13-14-4-2-9-21-12-14)17-8-11-23-20(26-17)25-16-7-1-5-15-6-3-10-22-18(15)16/h1-12H,13H2,(H,24,27)(H,23,25,26).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).