(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide

C22H26N4O — CID 165404742

IUPAC(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
SMILESCC(C)C[C@@H](NC1CC1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C22H26N4O/c1-14(2)13-20(25-16-7-8-16)22(27)26-17-5-3-15(4-6-17)18-9-11-23-21-19(18)10-12-24-21/h3-6,9-12,14,16,20,25H,7-8,13H2,1-2H3,(H,23,24)(H,26,27)/t20-/m1/s1
InChIKeyWYDGOZMNXNLJKO-HXUWFJFHSA-N
MW362.48 g/mol
LogP4.34
Rot. Bonds7

About (2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide

(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide (PubChem CID 165404742) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
PubChem CID165404742
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
SMILESCC(C)C[C@@H](NC1CC1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C22H26N4O/c1-14(2)13-20(25-16-7-8-16)22(27)26-17-5-3-15(4-6-17)18-9-11-23-21-19(18)10-12-24-21/h3-6,9-12,14,16,20,25H,7-8,13H2,1-2H3,(H,23,24)(H,26,27)/t20-/m1/s1
InChIKeyWYDGOZMNXNLJKO-HXUWFJFHSA-N
XLogP4.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
(2S)-2-amino-3,3-dimethyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]butanamide
CID 165404879
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807775
2-(dimethylamino)-3-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
CID 176840685
2-amino-3-cyclopropyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
CID 175833951
1-butyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807595
(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide
CID 165404602
2-amino-3-hydroxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
CID 175833948
(2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide
CID 165404802
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
(2R)-N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]phenyl]-2-(cyclopropylmethylamino)-4-methylpentanamide
CID 165404778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide?
The IUPAC name of (2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide (CID 165404742) is (2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide is CC(C)C[C@@H](NC1CC1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of (2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide?
The InChIKey is WYDGOZMNXNLJKO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N4O/c1-14(2)13-20(25-16-7-8-16)22(27)26-17-5-3-15(4-6-17)18-9-11-23-21-19(18)10-12-24-21/h3-6,9-12,14,16,20,25H,7-8,13H2,1-2H3,(H,23,24)(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide?
(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide has a molecular weight of 362.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide is sourced from PubChem (CID 165404742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).