6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide

C16H16N8O2 — CID 155542340

IUPAC6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-n2nccn2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C16H16N8O2/c1-2-18-16(26)23-14-8-13(24-20-6-7-21-24)12(10-19-14)15(25)22-11-4-3-5-17-9-11/h3-10H,2H2,1H3,(H,22,25)(H2,18,19,23,26)
InChIKeyRESOFBUAPMFEDQ-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.45
Rot. Bonds5

About 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide

6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide (PubChem CID 155542340) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide
PubChem CID155542340
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-n2nccn2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C16H16N8O2/c1-2-18-16(26)23-14-8-13(24-20-6-7-21-24)12(10-19-14)15(25)22-11-4-3-5-17-9-11/h3-10H,2H2,1H3,(H,22,25)(H2,18,19,23,26)
InChIKeyRESOFBUAPMFEDQ-UHFFFAOYSA-N
XLogP1.45
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

P505-15
CID 44462758
N-[(1S,2S)-2-{[3-Ethyl-5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]-3-(2H-1,2,3-triazol-2-yl)pyridine-2-carboxamide
CID 118308154
8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
Dipyridodiazepinone deriv. 21
CID 463148
2-Ethyl-9-methyl-5-(pyrrolidin-1-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 463547
Dipyridodiazepinone deriv. 41
CID 463561
Dipyridodiazepinone deriv. 42
CID 463562
Dipyridodiazepinone deriv. 52
CID 463572
Dipyridodiazepinone deriv. 53
CID 463573
Dipyridodiazepinone deriv. 54
CID 5327611
6-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 54761644

Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide (CID 155542340) is 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide is CCNC(=O)Nc1cc(-n2nccn2)c(C(=O)Nc2cccnc2)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide?
The InChIKey is RESOFBUAPMFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-2-18-16(26)23-14-8-13(24-20-6-7-21-24)12(10-19-14)15(25)22-11-4-3-5-17-9-11/h3-10H,2H2,1H3,(H,22,25)(H2,18,19,23,26).
What are the key properties of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide?
6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 155542340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).