6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C18H20N8O — CID 165415333

IUPAC6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCc1nc(CCNC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n[nH]1
InChIInChI=1S/C18H20N8O/c1-11-22-16(26-25-11)6-7-21-18(27)17-15(23-13-8-19-10-20-9-13)5-4-14(24-17)12-2-3-12/h4-5,8-10,12,23H,2-3,6-7H2,1H3,(H,21,27)(H,22,25,26)
InChIKeySFFSSLMGOAIOQE-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.89
Rot. Bonds7

About 6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415333) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415333
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCc1nc(CCNC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n[nH]1
InChIInChI=1S/C18H20N8O/c1-11-22-16(26-25-11)6-7-21-18(27)17-15(23-13-8-19-10-20-9-13)5-4-14(24-17)12-2-3-12/h4-5,8-10,12,23H,2-3,6-7H2,1H3,(H,21,27)(H,22,25,26)
InChIKeySFFSSLMGOAIOQE-UHFFFAOYSA-N
XLogP1.89
TPSA121.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-cyclohexyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-amide
CID 53328447
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclopentylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329168
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
6-cyclopropyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329353
6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54761643
6-cyclopropyl-N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58368041
6-cyclopropyl-N-[6-ethyl-2-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548416
6-methyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328248
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328249
6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328250

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415333) is 6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cc1nc(CCNC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n[nH]1.
What is the InChIKey of 6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is SFFSSLMGOAIOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-11-22-16(26-25-11)6-7-21-18(27)17-15(23-13-8-19-10-20-9-13)5-4-14(24-17)12-2-3-12/h4-5,8-10,12,23H,2-3,6-7H2,1H3,(H,21,27)(H,22,25,26).
What are the key properties of 6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).