(1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

C27H29N5O2 — CID 25009484

IUPAC(1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCNC(=O)[C@H]1CC2(CCN(c3ccc(C(=O)Nc4ccccc4N)cn3)CC2)c2ccccc21
InChIInChI=1S/C27H29N5O2/c1-29-26(34)20-16-27(21-7-3-2-6-19(20)21)12-14-32(15-13-27)24-11-10-18(17-30-24)25(33)31-23-9-5-4-8-22(23)28/h2-11,17,20H,12-16,28H2,1H3,(H,29,34)(H,31,33)/t20-/m0/s1
InChIKeyXIJUIZOMXMNVNH-FQEVSTJZSA-N
MW455.56 g/mol
LogP3.69
Rot. Bonds4

About (1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

(1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 25009484) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is (1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name(1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
PubChem CID25009484
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name(1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCNC(=O)[C@H]1CC2(CCN(c3ccc(C(=O)Nc4ccccc4N)cn3)CC2)c2ccccc21
InChIInChI=1S/C27H29N5O2/c1-29-26(34)20-16-27(21-7-3-2-6-19(20)21)12-14-32(15-13-27)24-11-10-18(17-30-24)25(33)31-23-9-5-4-8-22(23)28/h2-11,17,20H,12-16,28H2,1H3,(H,29,34)(H,31,33)/t20-/m0/s1
InChIKeyXIJUIZOMXMNVNH-FQEVSTJZSA-N
XLogP3.69
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 89175435
[1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid
CID 66757742
tert-butyl 1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
CID 25009486
N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 123593113
N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 68900468
N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
CID 143469870
N-methyl-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 131640770
(2S)-4-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 16662872
N-(2-aminophenyl)-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxamide
CID 16662758
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
tert-butyl (5R)-2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 143469921

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of (1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 25009484) is (1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for (1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for (1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is CNC(=O)[C@H]1CC2(CCN(c3ccc(C(=O)Nc4ccccc4N)cn3)CC2)c2ccccc21.
What is the InChIKey of (1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The InChIKey is XIJUIZOMXMNVNH-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-29-26(34)20-16-27(21-7-3-2-6-19(20)21)12-14-32(15-13-27)24-11-10-18(17-30-24)25(33)31-23-9-5-4-8-22(23)28/h2-11,17,20H,12-16,28H2,1H3,(H,29,34)(H,31,33)/t20-/m0/s1.
What are the key properties of (1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
(1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 25009484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).