(3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

C21H23N5O — CID 97428769

IUPAC(3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1
InChIInChI=1S/C21H23N5O/c27-21(24-17-7-8-17)16-5-3-10-25(13-16)19-12-20(23-14-22-19)26-11-9-15-4-1-2-6-18(15)26/h1-2,4,6,9,11-12,14,16-17H,3,5,7-8,10,13H2,(H,24,27)/t16-/m0/s1
InChIKeyZKEODZHCJHIKIE-INIZCTEOSA-N
MW361.45 g/mol
LogP2.92
Rot. Bonds4

About (3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 97428769) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID97428769
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1
InChIInChI=1S/C21H23N5O/c27-21(24-17-7-8-17)16-5-3-10-25(13-16)19-12-20(23-14-22-19)26-11-9-15-4-1-2-6-18(15)26/h1-2,4,6,9,11-12,14,16-17H,3,5,7-8,10,13H2,(H,24,27)/t16-/m0/s1
InChIKeyZKEODZHCJHIKIE-INIZCTEOSA-N
XLogP2.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 97428768
(3S)-1-(6-indol-1-ylpyrimidin-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 97428773
N-cyclopropyl-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519842
(3R)-N-cyclopropyl-1-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 100838344
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
N-cyclopentyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600584
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90520777
1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 72719837
N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522891
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 97428769) is (3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(NC1CC1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1.
What is the InChIKey of (3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is ZKEODZHCJHIKIE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(24-17-7-8-17)16-5-3-10-25(13-16)19-12-20(23-14-22-19)26-11-9-15-4-1-2-6-18(15)26/h1-2,4,6,9,11-12,14,16-17H,3,5,7-8,10,13H2,(H,24,27)/t16-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97428769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).