N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide

C14H22N4O3 — CID 126434930

IUPACN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NCCN2CCCC[C@H]2CO)cn1
InChIInChI=1S/C14H22N4O3/c1-21-14-16-8-11(9-17-14)13(20)15-5-7-18-6-3-2-4-12(18)10-19/h8-9,12,19H,2-7,10H2,1H3,(H,15,20)/t12-/m0/s1
InChIKeyYECKVHSIDQCTQH-LBPRGKRZSA-N
MW294.35 g/mol
LogP0.06
Rot. Bonds6

About N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide

N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide (PubChem CID 126434930) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
PubChem CID126434930
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NCCN2CCCC[C@H]2CO)cn1
InChIInChI=1S/C14H22N4O3/c1-21-14-16-8-11(9-17-14)13(20)15-5-7-18-6-3-2-4-12(18)10-19/h8-9,12,19H,2-7,10H2,1H3,(H,15,20)/t12-/m0/s1
InChIKeyYECKVHSIDQCTQH-LBPRGKRZSA-N
XLogP0.06
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623
2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
CID 119066087
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
N-cycloheptyl-2-methoxypyrimidine-5-carboxamide
CID 51364566
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70770906
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505417
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125446361
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131917065
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121497077

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide (CID 126434930) is N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide is COc1ncc(C(=O)NCCN2CCCC[C@H]2CO)cn1.
What is the InChIKey of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide?
The InChIKey is YECKVHSIDQCTQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-21-14-16-8-11(9-17-14)13(20)15-5-7-18-6-3-2-4-12(18)10-19/h8-9,12,19H,2-7,10H2,1H3,(H,15,20)/t12-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide?
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 126434930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).