2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide

C12H16ClN3O — CID 77144541

IUPAC2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
SMILESCC(N)C(=O)N(Cc1ccc(Cl)nc1)C1CC1
InChIInChI=1S/C12H16ClN3O/c1-8(14)12(17)16(10-3-4-10)7-9-2-5-11(13)15-6-9/h2,5-6,8,10H,3-4,7,14H2,1H3
InChIKeyRFUHBQZLUJPGDC-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide

2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide (PubChem CID 77144541) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
PubChem CID77144541
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
SMILESCC(N)C(=O)N(Cc1ccc(Cl)nc1)C1CC1
InChIInChI=1S/C12H16ClN3O/c1-8(14)12(17)16(10-3-4-10)7-9-2-5-11(13)15-6-9/h2,5-6,8,10H,3-4,7,14H2,1H3
InChIKeyRFUHBQZLUJPGDC-UHFFFAOYSA-N
XLogP1.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 77144549
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
(2S)-2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 66568596
(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
CID 99704867
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
4-N-[(6-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121749
(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
CID 66568232
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497
(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide
CID 99704294

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide (CID 77144541) is 2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide is CC(N)C(=O)N(Cc1ccc(Cl)nc1)C1CC1.
What is the InChIKey of 2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide?
The InChIKey is RFUHBQZLUJPGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8(14)12(17)16(10-3-4-10)7-9-2-5-11(13)15-6-9/h2,5-6,8,10H,3-4,7,14H2,1H3.
What are the key properties of 2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide?
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide has a molecular weight of 253.73 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 77144541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).