2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide

C15H20ClN3O — CID 95204797

IUPAC2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide
SMILESC[C@H](CC1=CCCN(C)C1)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-11(8-12-4-3-7-19(2)10-12)18-15(20)13-5-6-17-14(16)9-13/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyCQIXLMKHATUZPS-LLVKDONJSA-N
MW293.80 g/mol
LogP2.51
Rot. Bonds4

About 2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide

2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide (PubChem CID 95204797) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide
PubChem CID95204797
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide
SMILESC[C@H](CC1=CCCN(C)C1)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-11(8-12-4-3-7-19(2)10-12)18-15(20)13-5-6-17-14(16)9-13/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyCQIXLMKHATUZPS-LLVKDONJSA-N
XLogP2.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
CID 103925925
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide
CID 61053305
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 51891718
2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide
CID 122151905

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide (CID 95204797) is 2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide is C[C@H](CC1=CCCN(C)C1)NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is CQIXLMKHATUZPS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11(8-12-4-3-7-19(2)10-12)18-15(20)13-5-6-17-14(16)9-13/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide?
2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 293.80 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95204797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).