(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid

C19H25N3O2 — CID 122037106

IUPAC(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid
SMILESCC(C)C[C@H](NCc1ccc(N(C)c2ccccc2)nc1)C(=O)O
InChIInChI=1S/C19H25N3O2/c1-14(2)11-17(19(23)24)20-12-15-9-10-18(21-13-15)22(3)16-7-5-4-6-8-16/h4-10,13-14,17,20H,11-12H2,1-3H3,(H,23,24)/t17-/m0/s1
InChIKeyIAGHTVRULSLEJA-KRWDZBQOSA-N
MW327.43 g/mol
LogP3.44
Rot. Bonds8

About (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid

(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid (PubChem CID 122037106) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid
PubChem CID122037106
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid
SMILESCC(C)C[C@H](NCc1ccc(N(C)c2ccccc2)nc1)C(=O)O
InChIInChI=1S/C19H25N3O2/c1-14(2)11-17(19(23)24)20-12-15-9-10-18(21-13-15)22(3)16-7-5-4-6-8-16/h4-10,13-14,17,20H,11-12H2,1-3H3,(H,23,24)/t17-/m0/s1
InChIKeyIAGHTVRULSLEJA-KRWDZBQOSA-N
XLogP3.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid 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

4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid
CID 122073369
2-methyl-3-[methyl-[[6-(N-methylanilino)-3-pyridinyl]methyl]amino]propanoic acid
CID 122047069
(2R)-4-methyl-2-[[2-(methylamino)pyrimidin-5-yl]methylamino]pentanoic acid
CID 95003304
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
2-[[4-(carboxymethoxy)phenyl]methylamino]-4-methylpentanoic acid
CID 102535707
5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256
N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293176
5-(2-aminoethyl)-N-methyl-N-phenylpyridin-2-amine
CID 80633207
N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62292816
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
2-(isoquinolin-6-ylmethylamino)-4-methylpentanoic acid
CID 107038218

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid (CID 122037106) is (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid is CC(C)C[C@H](NCc1ccc(N(C)c2ccccc2)nc1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid?
The InChIKey is IAGHTVRULSLEJA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)11-17(19(23)24)20-12-15-9-10-18(21-13-15)22(3)16-7-5-4-6-8-16/h4-10,13-14,17,20H,11-12H2,1-3H3,(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid?
(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid has a molecular weight of 327.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid is sourced from PubChem (CID 122037106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).