N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide

C18H26N4O3 — CID 110141088

IUPACN-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
SMILESCN1CCC[C@@H]2N(C(=O)CNC(=O)c3cncc(O)c3)CCC[C@@]21C
InChIInChI=1S/C18H26N4O3/c1-18-6-4-8-22(15(18)5-3-7-21(18)2)16(24)12-20-17(25)13-9-14(23)11-19-10-13/h9-11,15,23H,3-8,12H2,1-2H3,(H,20,25)/t15-,18-/m0/s1
InChIKeyRIGVLYMQWRIXEK-YJBOKZPZSA-N
MW346.43 g/mol
LogP0.99
Rot. Bonds3

About N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide

N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 110141088) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
PubChem CID110141088
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
SMILESCN1CCC[C@@H]2N(C(=O)CNC(=O)c3cncc(O)c3)CCC[C@@]21C
InChIInChI=1S/C18H26N4O3/c1-18-6-4-8-22(15(18)5-3-7-21(18)2)16(24)12-20-17(25)13-9-14(23)11-19-10-13/h9-11,15,23H,3-8,12H2,1-2H3,(H,20,25)/t15-,18-/m0/s1
InChIKeyRIGVLYMQWRIXEK-YJBOKZPZSA-N
XLogP0.99
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide with MolForge

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Related Compounds

5-hydroxy-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63860872
N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide
CID 115306498
N-[2-[(1S,2R,4R,8S,9R)-3-acetyl-2-benzyl-9-methyl-3,11-diazatricyclo[6.2.1.04,9]undecan-11-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
CID 110141090
2-[(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 770223
N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
[(4aS,9aS)-4a,5-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-1-yl]-[5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 110140454
N-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
CID 110120864
[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 71655265
N-(2-cyclopentylethyl)-5-hydroxypyridine-3-carboxamide
CID 63866200
N-(2,2-dimethylpropyl)-5-hydroxypyridine-3-carboxamide
CID 63866542
5-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 115620341
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 63860323

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide (CID 110141088) is N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide is CN1CCC[C@@H]2N(C(=O)CNC(=O)c3cncc(O)c3)CCC[C@@]21C.
What is the InChIKey of N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is RIGVLYMQWRIXEK-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18-6-4-8-22(15(18)5-3-7-21(18)2)16(24)12-20-17(25)13-9-14(23)11-19-10-13/h9-11,15,23H,3-8,12H2,1-2H3,(H,20,25)/t15-,18-/m0/s1.
What are the key properties of N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 110141088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).