(2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide

C25H36N4O3 — CID 53361818

IUPAC(2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide
SMILESO=C(CC1CCCC1)N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C25H36N4O3/c30-23(16-18-7-1-2-8-18)28-21(15-19-9-5-13-26-17-19)25(32)29-14-6-12-22(29)24(31)27-20-10-3-4-11-20/h5,9,13,17-18,20-22H,1-4,6-8,10-12,14-16H2,(H,27,31)(H,28,30)/t21-,22-/m0/s1
InChIKeyIXKVMCMULXTZBY-VXKWHMMOSA-N
MW440.59 g/mol
LogP2.74
Rot. Bonds8

About (2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide

(2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide (PubChem CID 53361818) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide
PubChem CID53361818
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name(2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide
SMILESO=C(CC1CCCC1)N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C25H36N4O3/c30-23(16-18-7-1-2-8-18)28-21(15-19-9-5-13-26-17-19)25(32)29-14-6-12-22(29)24(31)27-20-10-3-4-11-20/h5,9,13,17-18,20-22H,1-4,6-8,10-12,14-16H2,(H,27,31)(H,28,30)/t21-,22-/m0/s1
InChIKeyIXKVMCMULXTZBY-VXKWHMMOSA-N
XLogP2.74
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide
CID 53361894
(2S)-N-cyclopentyl-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53361796
(2S)-N-cyclopentyl-1-[(2S)-3-pyridin-3-yl-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53361782
N-[(2S)-1-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 53361778
(2S)-N-cyclopentyl-1-[(2S)-2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53361812
1-(3,3-dimethylbutanoyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 136512000
2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
CID 169215534
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
methyl 2-[[1-(cyclohexylcarbamoyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate
CID 78447891
2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 10809527
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide (CID 53361818) is (2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide is O=C(CC1CCCC1)N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide?
The InChIKey is IXKVMCMULXTZBY-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H36N4O3/c30-23(16-18-7-1-2-8-18)28-21(15-19-9-5-13-26-17-19)25(32)29-14-6-12-22(29)24(31)27-20-10-3-4-11-20/h5,9,13,17-18,20-22H,1-4,6-8,10-12,14-16H2,(H,27,31)(H,28,30)/t21-,22-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 53361818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).