2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide

C26H29N5O — CID 135096925

IUPAC2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)c1
InChIInChI=1S/C26H29N5O/c1-18(2)29-25(32)20-10-13-27-22(15-20)31-14-6-11-26(17-31)12-9-21-16-28-24(30-23(21)26)19-7-4-3-5-8-19/h3-5,7-8,10,13,15-16,18H,6,9,11-12,14,17H2,1-2H3,(H,29,32)
InChIKeyJFWXGKQSYBSBJJ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.16
Rot. Bonds4

About 2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide

2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 135096925) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide
PubChem CID135096925
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)c1
InChIInChI=1S/C26H29N5O/c1-18(2)29-25(32)20-10-13-27-22(15-20)31-14-6-11-26(17-31)12-9-21-16-28-24(30-23(21)26)19-7-4-3-5-8-19/h3-5,7-8,10,13,15-16,18H,6,9,11-12,14,17H2,1-2H3,(H,29,32)
InChIKeyJFWXGKQSYBSBJJ-UHFFFAOYSA-N
XLogP4.16
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide (CID 135096925) is 2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide is CC(C)NC(=O)c1ccnc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)c1.
What is the InChIKey of 2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is JFWXGKQSYBSBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-18(2)29-25(32)20-10-13-27-22(15-20)31-14-6-11-26(17-31)12-9-21-16-28-24(30-23(21)26)19-7-4-3-5-8-19/h3-5,7-8,10,13,15-16,18H,6,9,11-12,14,17H2,1-2H3,(H,29,32).
What are the key properties of 2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide?
2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 135096925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).