(2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C20H28N4O3 — CID 155880932

IUPAC(2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H28N4O3/c25-17-10-18(19(26)22-12-14-2-1-7-21-11-14)24(13-17)16-5-8-23(9-6-16)20(27)15-3-4-15/h1-2,7,11,15-18,25H,3-6,8-10,12-13H2,(H,22,26)/t17-,18+/m1/s1
InChIKeyDJLCGJHAXWRKTN-MSOLQXFVSA-N
MW372.47 g/mol
LogP0.53
Rot. Bonds5

About (2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 155880932) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID155880932
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H28N4O3/c25-17-10-18(19(26)22-12-14-2-1-7-21-11-14)24(13-17)16-5-8-23(9-6-16)20(27)15-3-4-15/h1-2,7,11,15-18,25H,3-6,8-10,12-13H2,(H,22,26)/t17-,18+/m1/s1
InChIKeyDJLCGJHAXWRKTN-MSOLQXFVSA-N
XLogP0.53
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881009
(2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881066
(2S,4R)-1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881432
(2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881208
(2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 110197414
(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 155881522
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 109148778
(2S,4R)-1-(1-butanoylpiperidin-4-yl)-4-hydroxy-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 110197258
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 98763014

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 155880932) is (2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1cccnc1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is DJLCGJHAXWRKTN-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-17-10-18(19(26)22-12-14-2-1-7-21-11-14)24(13-17)16-5-8-23(9-6-16)20(27)15-3-4-15/h1-2,7,11,15-18,25H,3-6,8-10,12-13H2,(H,22,26)/t17-,18+/m1/s1.
What are the key properties of (2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 155880932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).