(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C18H26N4O3 — CID 95149907

IUPAC(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCOc1ncccc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1
InChIInChI=1S/C18H26N4O3/c1-2-25-17-14(5-3-9-20-17)18(24)21-11-7-13(8-12-21)22-10-4-6-15(22)16(19)23/h3,5,9,13,15H,2,4,6-8,10-12H2,1H3,(H2,19,23)/t15-/m1/s1
InChIKeyOFCWWJWQCVBPOK-OAHLLOKOSA-N
MW346.43 g/mol
LogP1.03
Rot. Bonds5

About (2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 95149907) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID95149907
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCOc1ncccc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1
InChIInChI=1S/C18H26N4O3/c1-2-25-17-14(5-3-9-20-17)18(24)21-11-7-13(8-12-21)22-10-4-6-15(22)16(19)23/h3,5,9,13,15H,2,4,6-8,10-12H2,1H3,(H2,19,23)/t15-/m1/s1
InChIKeyOFCWWJWQCVBPOK-OAHLLOKOSA-N
XLogP1.03
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101219
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 70780005
(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95765435
3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
(2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110132803
(2-ethoxy-3-pyridinyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97192067
(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 125006022
N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51299542
(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 52500753

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 95149907) is (2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is CCOc1ncccc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1.
What is the InChIKey of (2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is OFCWWJWQCVBPOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-2-25-17-14(5-3-9-20-17)18(24)21-11-7-13(8-12-21)22-10-4-6-15(22)16(19)23/h3,5,9,13,15H,2,4,6-8,10-12H2,1H3,(H2,19,23)/t15-/m1/s1.
What are the key properties of (2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95149907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).