2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide

C21H25N5O — CID 70775652

IUPAC2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(-c2cc(NC3CCCC3)nc3[nH]ccc23)c1
InChIInChI=1S/C21H25N5O/c1-13(2)24-21(27)14-7-9-22-18(11-14)17-12-19(25-15-5-3-4-6-15)26-20-16(17)8-10-23-20/h7-13,15H,3-6H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyNLROMHMRJYVPFW-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.12
Rot. Bonds5

About 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide

2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 70775652) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide
PubChem CID70775652
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(-c2cc(NC3CCCC3)nc3[nH]ccc23)c1
InChIInChI=1S/C21H25N5O/c1-13(2)24-21(27)14-7-9-22-18(11-14)17-12-19(25-15-5-3-4-6-15)26-20-16(17)8-10-23-20/h7-13,15H,3-6H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyNLROMHMRJYVPFW-UHFFFAOYSA-N
XLogP4.12
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide (CID 70775652) is 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide is CC(C)NC(=O)c1ccnc(-c2cc(NC3CCCC3)nc3[nH]ccc23)c1.
What is the InChIKey of 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is NLROMHMRJYVPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-13(2)24-21(27)14-7-9-22-18(11-14)17-12-19(25-15-5-3-4-6-15)26-20-16(17)8-10-23-20/h7-13,15H,3-6H2,1-2H3,(H,24,27)(H2,23,25,26).
What are the key properties of 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide?
2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 70775652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).