2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide

C18H24N4O — CID 119888012

IUPAC2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide
SMILESCc1ccc(NCCCNC(=O)C(N)Cc2ccccc2)nc1
InChIInChI=1S/C18H24N4O/c1-14-8-9-17(22-13-14)20-10-5-11-21-18(23)16(19)12-15-6-3-2-4-7-15/h2-4,6-9,13,16H,5,10-12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyKSAFWPCWGHUCTP-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.88
Rot. Bonds8

About 2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide

2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide (PubChem CID 119888012) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide
PubChem CID119888012
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide
SMILESCc1ccc(NCCCNC(=O)C(N)Cc2ccccc2)nc1
InChIInChI=1S/C18H24N4O/c1-14-8-9-17(22-13-14)20-10-5-11-21-18(23)16(19)12-15-6-3-2-4-7-15/h2-4,6-9,13,16H,5,10-12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyKSAFWPCWGHUCTP-UHFFFAOYSA-N
XLogP1.88
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018
2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 119888065
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide (CID 119888012) is 2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide is Cc1ccc(NCCCNC(=O)C(N)Cc2ccccc2)nc1.
What is the InChIKey of 2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide?
The InChIKey is KSAFWPCWGHUCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-8-9-17(22-13-14)20-10-5-11-21-18(23)16(19)12-15-6-3-2-4-7-15/h2-4,6-9,13,16H,5,10-12,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide?
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide has a molecular weight of 312.42 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide is sourced from PubChem (CID 119888012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).