2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide

C14H18ClN3O2 — CID 167495014

IUPAC2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide
SMILESC[C@@H]1CCCN1c1cc(C(=O)N(C)C)c(C=O)c(Cl)n1
InChIInChI=1S/C14H18ClN3O2/c1-9-5-4-6-18(9)12-7-10(14(20)17(2)3)11(8-19)13(15)16-12/h7-9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyDHFMFQYOCIFQDM-SECBINFHSA-N
MW295.77 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide

2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide (PubChem CID 167495014) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide
PubChem CID167495014
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide
SMILESC[C@@H]1CCCN1c1cc(C(=O)N(C)C)c(C=O)c(Cl)n1
InChIInChI=1S/C14H18ClN3O2/c1-9-5-4-6-18(9)12-7-10(14(20)17(2)3)11(8-19)13(15)16-12/h7-9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyDHFMFQYOCIFQDM-SECBINFHSA-N
XLogP2.24
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide (CID 167495014) is 2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide is C[C@@H]1CCCN1c1cc(C(=O)N(C)C)c(C=O)c(Cl)n1.
What is the InChIKey of 2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide?
The InChIKey is DHFMFQYOCIFQDM-SECBINFHSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9-5-4-6-18(9)12-7-10(14(20)17(2)3)11(8-19)13(15)16-12/h7-9H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide?
2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-formyl-N,N-dimethyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 167495014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).