N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide

C16H19ClN4O — CID 75402133

IUPACN-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide
SMILESCC(C(=O)Nc1cccnc1Cl)N(C)CCc1ccccn1
InChIInChI=1S/C16H19ClN4O/c1-12(16(22)20-14-7-5-10-19-15(14)17)21(2)11-8-13-6-3-4-9-18-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22)
InChIKeyAMITWDCHUCWOPT-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.63
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide

N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide (PubChem CID 75402133) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide
PubChem CID75402133
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide
SMILESCC(C(=O)Nc1cccnc1Cl)N(C)CCc1ccccn1
InChIInChI=1S/C16H19ClN4O/c1-12(16(22)20-14-7-5-10-19-15(14)17)21(2)11-8-13-6-3-4-9-18-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22)
InChIKeyAMITWDCHUCWOPT-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687
(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 124606771
(2S)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 124606770
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
(2S)-N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250059
(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
CID 9459475
3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
CID 47435216
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 75846276

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide (CID 75402133) is N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide is CC(C(=O)Nc1cccnc1Cl)N(C)CCc1ccccn1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide?
The InChIKey is AMITWDCHUCWOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12(16(22)20-14-7-5-10-19-15(14)17)21(2)11-8-13-6-3-4-9-18-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide?
N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide has a molecular weight of 318.81 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide is sourced from PubChem (CID 75402133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).