4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide

C14H16ClN5O — CID 89392825

IUPAC4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCN(C)C(=O)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1
InChIInChI=1S/C14H16ClN5O/c1-19(2)14(21)20-5-3-9(4-6-20)11-7-10-12(15)16-8-17-13(10)18-11/h3,7-8H,4-6H2,1-2H3,(H,16,17,18)
InChIKeyNBOLUMBPHHRMDM-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.38
Rot. Bonds1

About 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide

4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 89392825) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID89392825
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCN(C)C(=O)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1
InChIInChI=1S/C14H16ClN5O/c1-19(2)14(21)20-5-3-9(4-6-20)11-7-10-12(15)16-8-17-13(10)18-11/h3,7-8H,4-6H2,1-2H3,(H,16,17,18)
InChIKeyNBOLUMBPHHRMDM-UHFFFAOYSA-N
XLogP2.38
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-amino-5-fluoro-2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 86730983
4-[4-(3-amino-4-fluoro-2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 89392835
4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 139208110
4-[4-[5-fluoro-2-methyl-3-[2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 159376572
4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 86730988
4-[4-[5-fluoro-2-methyl-3-[[4-(1,1,1-trifluoropropan-2-yl)benzoyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 144507652
4-[4-[5-fluoro-2-methyl-3-[2-(3-methyl-1H-indol-6-yl)-2-oxoethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 161439639
tert-butyl 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59854562
4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 143181523
1-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(dimethylamino)ethanone
CID 11568229
methyl-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]borinic acid
CID 58710046
tert-butyl 4-[4-(3-carbamoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11597243

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 89392825) is 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide is CN(C)C(=O)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1.
What is the InChIKey of 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is NBOLUMBPHHRMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-19(2)14(21)20-5-3-9(4-6-20)11-7-10-12(15)16-8-17-13(10)18-11/h3,7-8H,4-6H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 89392825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).