(2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone

C12H16ClN3O — CID 116567605

IUPAC(2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)c2cc(Cl)cnc2N)CCNCC1
InChIInChI=1S/C12H16ClN3O/c1-12(2-4-15-5-3-12)10(17)9-6-8(13)7-16-11(9)14/h6-7,15H,2-5H2,1H3,(H2,14,16)
InChIKeyDXNYRZHFBYSYRT-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.89
Rot. Bonds2

About (2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone

(2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone (PubChem CID 116567605) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone
PubChem CID116567605
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)c2cc(Cl)cnc2N)CCNCC1
InChIInChI=1S/C12H16ClN3O/c1-12(2-4-15-5-3-12)10(17)9-6-8(13)7-16-11(9)14/h6-7,15H,2-5H2,1H3,(H2,14,16)
InChIKeyDXNYRZHFBYSYRT-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572851
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone
CID 116747900
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone
CID 116748436
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 116750132
(2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749240
1-(2-amino-5-chloro-3-pyridinyl)-2-methylprop-2-en-1-one
CID 103446437
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572944
1-(2-amino-5-chloro-3-pyridinyl)-3-methylbut-2-en-1-one
CID 103455576
(2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone
CID 103450525
(2-amino-5-chloro-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547814
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone (CID 116567605) is (2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone is CC1(C(=O)c2cc(Cl)cnc2N)CCNCC1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone?
The InChIKey is DXNYRZHFBYSYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-12(2-4-15-5-3-12)10(17)9-6-8(13)7-16-11(9)14/h6-7,15H,2-5H2,1H3,(H2,14,16).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 116567605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).