N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide

C17H21ClN4O — CID 109264675

IUPACN-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C17H21ClN4O/c1-3-8-22(9-4-2)17-19-11-13(12-20-17)16(23)21-15-7-5-6-14(18)10-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,23)
InChIKeyPTRHJABCSDKTDD-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.01
Rot. Bonds7

About N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide

N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide (PubChem CID 109264675) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
PubChem CID109264675
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C17H21ClN4O/c1-3-8-22(9-4-2)17-19-11-13(12-20-17)16(23)21-15-7-5-6-14(18)10-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,23)
InChIKeyPTRHJABCSDKTDD-UHFFFAOYSA-N
XLogP4.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264701
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264744
5-chloro-N-(3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 25176417
N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194760
N-(3-acetamidophenyl)-6-(dipropylamino)pyridine-3-carboxamide
CID 109161832
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
6-(dipropylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161795
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286897
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide (CID 109264675) is N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide is CCCN(CCC)c1ncc(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
The InChIKey is PTRHJABCSDKTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-8-22(9-4-2)17-19-11-13(12-20-17)16(23)21-15-7-5-6-14(18)10-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).