N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

C20H30N6O3 — CID 172656855

IUPACN,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCCCn1cnnc1CN(C)C(=O)c1c(C)ccn(CCN2CCOCC2)c1=O
InChIInChI=1S/C20H30N6O3/c1-4-6-26-15-21-22-17(26)14-23(3)19(27)18-16(2)5-7-25(20(18)28)9-8-24-10-12-29-13-11-24/h5,7,15H,4,6,8-14H2,1-3H3
InChIKeyGJBGSJRAQALOFY-UHFFFAOYSA-N
MW402.50 g/mol
LogP0.76
Rot. Bonds8

About N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 172656855) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID172656855
Molecular FormulaC20H30N6O3
Molecular Weight402.50 g/mol
Exact Mass402.24
IUPAC NameN,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCCCn1cnnc1CN(C)C(=O)c1c(C)ccn(CCN2CCOCC2)c1=O
InChIInChI=1S/C20H30N6O3/c1-4-6-26-15-21-22-17(26)14-23(3)19(27)18-16(2)5-7-25(20(18)28)9-8-24-10-12-29-13-11-24/h5,7,15H,4,6,8-14H2,1-3H3
InChIKeyGJBGSJRAQALOFY-UHFFFAOYSA-N
XLogP0.76
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-1-[2-(4-morpholinyl)ethyl]-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-2(1H)-pyridinone
CID 172666273
2-hydroxy-N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}nicotinamide
CID 90651777
2-{[{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 91844231
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 118783660
N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 118786848
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
2-[3-[3-(2-Methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 126799351
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 131891676
1-ethyl-N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 132417532
6-ethyl-3-{[(5S)-3-(methoxymethyl)-5-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-1,5-dimethyl-2(1H)-pyridinone
CID 164691749
N-(5-ethyl-1-methyl-1H-1,2,4-triazol-3-yl)-4-methyl-1-[2-(4-morpholinyl)ethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 172658306

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (CID 172656855) is N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is CCCn1cnnc1CN(C)C(=O)c1c(C)ccn(CCN2CCOCC2)c1=O.
What is the InChIKey of N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is GJBGSJRAQALOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O3/c1-4-6-26-15-21-22-17(26)14-23(3)19(27)18-16(2)5-7-25(20(18)28)9-8-24-10-12-29-13-11-24/h5,7,15H,4,6,8-14H2,1-3H3.
What are the key properties of N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 0.76, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 172656855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).