N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide

C14H21N3O2 — CID 94895221

IUPACN,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CC[C@H](O)C2)ccn1
InChIInChI=1S/C14H21N3O2/c1-3-16(4-2)14(19)13-9-11(5-7-15-13)17-8-6-12(18)10-17/h5,7,9,12,18H,3-4,6,8,10H2,1-2H3/t12-/m0/s1
InChIKeyBTGKXONZSKRSOQ-LBPRGKRZSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds4

About N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide

N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 94895221) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID94895221
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CC[C@H](O)C2)ccn1
InChIInChI=1S/C14H21N3O2/c1-3-16(4-2)14(19)13-9-11(5-7-15-13)17-8-6-12(18)10-17/h5,7,9,12,18H,3-4,6,8,10H2,1-2H3/t12-/m0/s1
InChIKeyBTGKXONZSKRSOQ-LBPRGKRZSA-N
XLogP1.13
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Butyl(2-hydroxyethyl)amino]-1-pyridin-2-ylpropan-1-one
CID 46231610
3-[2-Hydroxyethyl(propan-2-yl)amino]-1-pyridin-2-ylpropan-1-one
CID 46231611
(R)-N-(1-cyanopyrrolidin-3-yl)-4-(N-methylisobutyramido)picolinamide
CID 122590606
N-(2-Hydroxyethyl)picolinamide
CID 2045999
3-[2-Hydroxyethyl(methyl)amino]-1-pyridin-2-ylpropan-1-one
CID 46231565
Macrophominol
CID 10679336
N,N-Diethylpicolinamide
CID 410739
2-(N-methyl-1-pyridin-2-ylformamido)acetic acid
CID 16776132
4-amino-N-ethylpyridine-2-carboxamide
CID 43517904
2-(4-Methylpiperazine-1-carbonyl)pyridin-4-amine
CID 62154156
[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(2-propyl-4-pyridinyl)methanone
CID 50980790
[4-(2-Hydroxypropyl)piperazin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone
CID 53610538

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide (CID 94895221) is N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide is CCN(CC)C(=O)c1cc(N2CC[C@H](O)C2)ccn1.
What is the InChIKey of N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is BTGKXONZSKRSOQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-16(4-2)14(19)13-9-11(5-7-15-13)17-8-6-12(18)10-17/h5,7,9,12,18H,3-4,6,8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide?
N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 94895221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).