(2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide

C21H29N3O3 — CID 119857037

IUPAC(2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)[C@@H](N)CC(C)C)cc1
InChIInChI=1S/C21H29N3O3/c1-4-12-26-17-7-9-18(10-8-17)27-21-16(6-5-11-23-21)14-24-20(25)19(22)13-15(2)3/h5-11,15,19H,4,12-14,22H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeyLIBVEKVUTTYNTQ-IBGZPJMESA-N
MW371.48 g/mol
LogP3.65
Rot. Bonds10

About (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide

(2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide (PubChem CID 119857037) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide
PubChem CID119857037
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)[C@@H](N)CC(C)C)cc1
InChIInChI=1S/C21H29N3O3/c1-4-12-26-17-7-9-18(10-8-17)27-21-16(6-5-11-23-21)14-24-20(25)19(22)13-15(2)3/h5-11,15,19H,4,12-14,22H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeyLIBVEKVUTTYNTQ-IBGZPJMESA-N
XLogP3.65
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 120503036
3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55803628
1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549457
methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate
CID 55803950
1-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549456
(2S)-2-amino-3,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 119852317
2-amino-4-methyl-N-(4-propoxyphenyl)pentanamide
CID 62329193
1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 55803883
2-methyl-1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110970637
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119852318
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide (CID 119857037) is (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide is CCCOc1ccc(Oc2ncccc2CNC(=O)[C@@H](N)CC(C)C)cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide?
The InChIKey is LIBVEKVUTTYNTQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-12-26-17-7-9-18(10-8-17)27-21-16(6-5-11-23-21)14-24-20(25)19(22)13-15(2)3/h5-11,15,19H,4,12-14,22H2,1-3H3,(H,24,25)/t19-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide has a molecular weight of 371.48 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide is sourced from PubChem (CID 119857037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).