N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide

C17H21N5O3 — CID 110123546

IUPACN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1(O)CCCN(c2cnccn2)C1
InChIInChI=1S/C17H21N5O3/c1-25-16-13(4-2-6-20-16)15(23)21-11-17(24)5-3-9-22(12-17)14-10-18-7-8-19-14/h2,4,6-8,10,24H,3,5,9,11-12H2,1H3,(H,21,23)
InChIKeyQCEZNEYYIGEJQY-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.64
Rot. Bonds5

About N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide

N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 110123546) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide
PubChem CID110123546
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1(O)CCCN(c2cnccn2)C1
InChIInChI=1S/C17H21N5O3/c1-25-16-13(4-2-6-20-16)15(23)21-11-17(24)5-3-9-22(12-17)14-10-18-7-8-19-14/h2,4,6-8,10,24H,3,5,9,11-12H2,1H3,(H,21,23)
InChIKeyQCEZNEYYIGEJQY-UHFFFAOYSA-N
XLogP0.64
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(methoxymethyl)benzamide
CID 110123551
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988701
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide
CID 125017362
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 124977632
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124961649
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110159152
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-(imidazol-1-ylmethyl)benzamide
CID 124957377
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 124976103
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110123523
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 125000571
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide (CID 110123546) is N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCC1(O)CCCN(c2cnccn2)C1.
What is the InChIKey of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is QCEZNEYYIGEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-25-16-13(4-2-6-20-16)15(23)21-11-17(24)5-3-9-22(12-17)14-10-18-7-8-19-14/h2,4,6-8,10,24H,3,5,9,11-12H2,1H3,(H,21,23).
What are the key properties of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide?
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 110123546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).