(4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one

C14H22ClN3O — CID 157430349

IUPAC(4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one
SMILESCCN(CC)[C@@H](C)CCC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-4-18(5-2)10(3)6-7-12(19)11-8-13(15)17-14(16)9-11/h8-10H,4-7H2,1-3H3,(H2,16,17)/t10-/m0/s1
InChIKeySTRHYNGBRALWDK-JTQLQIEISA-N
MW283.80 g/mol
LogP3.01
Rot. Bonds7

About (4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one

(4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one (PubChem CID 157430349) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is (4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one.

Molecular Properties

Compound Name(4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one
PubChem CID157430349
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name(4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one
SMILESCCN(CC)[C@@H](C)CCC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-4-18(5-2)10(3)6-7-12(19)11-8-13(15)17-14(16)9-11/h8-10H,4-7H2,1-3H3,(H2,16,17)/t10-/m0/s1
InChIKeySTRHYNGBRALWDK-JTQLQIEISA-N
XLogP3.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.01
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

(4S)-1-[2-chloro-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(diethylamino)pentan-1-one
CID 160736908
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 62185813
(4S)-1-[2-(3-aminoazetidin-1-yl)-6-bromo-4-pyridinyl]-4-(diethylamino)pentan-1-one
CID 158348495
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974
2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62186979
2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide
CID 62160387
2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161111
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054
2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 55041470
2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
CID 62153601
[6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid
CID 134540142

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one?
The IUPAC name of (4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one (CID 157430349) is (4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one.
What is the SMILES notation for (4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one?
The canonical SMILES for (4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one is CCN(CC)[C@@H](C)CCC(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of (4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one?
The InChIKey is STRHYNGBRALWDK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-18(5-2)10(3)6-7-12(19)11-8-13(15)17-14(16)9-11/h8-10H,4-7H2,1-3H3,(H2,16,17)/t10-/m0/s1.
What are the key properties of (4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one?
(4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one has a molecular weight of 283.80 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one is sourced from PubChem (CID 157430349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).