1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone

C11H14ClN3O — CID 116557644

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone
SMILESNc1ncc(Cl)cc1C(=O)CNCC1CC1
InChIInChI=1S/C11H14ClN3O/c12-8-3-9(11(13)15-5-8)10(16)6-14-4-7-1-2-7/h3,5,7,14H,1-2,4,6H2,(H2,13,15)
InChIKeySEMJWWDYMFQMBP-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.50
Rot. Bonds5

About 1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone

1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone (PubChem CID 116557644) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone
PubChem CID116557644
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone
SMILESNc1ncc(Cl)cc1C(=O)CNCC1CC1
InChIInChI=1S/C11H14ClN3O/c12-8-3-9(11(13)15-5-8)10(16)6-14-4-7-1-2-7/h3,5,7,14H,1-2,4,6H2,(H2,13,15)
InChIKeySEMJWWDYMFQMBP-UHFFFAOYSA-N
XLogP1.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone
CID 65138738
4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
CID 116553290
1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone
CID 65131200
7-amino-1-(2-amino-5-chloro-3-pyridinyl)heptan-1-one
CID 116551499
1-(2-amino-5-chloro-3-pyridinyl)-2-tert-butylsulfanylethanone
CID 65133698
1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116593507
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 116750132
1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one
CID 116603375
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone
CID 116747900
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60842452
(2-amino-5-chloro-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547814
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone
CID 116748436

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone (CID 116557644) is 1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone is Nc1ncc(Cl)cc1C(=O)CNCC1CC1.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone?
The InChIKey is SEMJWWDYMFQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-8-3-9(11(13)15-5-8)10(16)6-14-4-7-1-2-7/h3,5,7,14H,1-2,4,6H2,(H2,13,15).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone?
1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone has a molecular weight of 239.71 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone is sourced from PubChem (CID 116557644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).