N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide

C20H17Cl2N5O — CID 174182369

IUPACN-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(N2CCCC2)c(-c2cncnc2)c1
InChIInChI=1S/C20H17Cl2N5O/c21-17-4-3-15(8-18(17)22)26-20(28)13-7-16(14-9-23-12-24-10-14)19(25-11-13)27-5-1-2-6-27/h3-4,7-12H,1-2,5-6H2,(H,26,28)
InChIKeyILFXEYUYSSMXME-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.70
Rot. Bonds4

About N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 174182369) has the molecular formula C20H17Cl2N5O and a molecular weight of 414.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID174182369
Molecular FormulaC20H17Cl2N5O
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC NameN-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(N2CCCC2)c(-c2cncnc2)c1
InChIInChI=1S/C20H17Cl2N5O/c21-17-4-3-15(8-18(17)22)26-20(28)13-7-16(14-9-23-12-24-10-14)19(25-11-13)27-5-1-2-6-27/h3-4,7-12H,1-2,5-6H2,(H,26,28)
InChIKeyILFXEYUYSSMXME-UHFFFAOYSA-N
XLogP4.70
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250257
6-[(3R)-3-aminopiperidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118198920
3-[(3,4-dichlorophenyl)carbamoylamino]-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 167991124
6-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 154012609
6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 25176419
6-[(3S)-3-cyanopiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118198919
N-[4-[chloro(difluoro)methoxy]phenyl]-6-pyrrolidin-1-yl-5-(1,2,4-triazin-6-yl)pyridine-3-carboxamide
CID 149027834
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118195232
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919180
5-(2,6-difluoro-4-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 123948489
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226611

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 174182369) is N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(N2CCCC2)c(-c2cncnc2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is ILFXEYUYSSMXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O/c21-17-4-3-15(8-18(17)22)26-20(28)13-7-16(14-9-23-12-24-10-14)19(25-11-13)27-5-1-2-6-27/h3-4,7-12H,1-2,5-6H2,(H,26,28).
What are the key properties of N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 174182369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).