6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide

C19H24N4O2 — CID 109355386

IUPAC6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2cccc(C(C)=O)c2)ncn1
InChIInChI=1S/C19H24N4O2/c1-4-9-23(10-5-2)19(25)17-12-18(21-13-20-17)22-16-8-6-7-15(11-16)14(3)24/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,20,21,22)
InChIKeyGUWGISFAXSXDEO-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.68
Rot. Bonds8

About 6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide

6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109355386) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109355386
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2cccc(C(C)=O)c2)ncn1
InChIInChI=1S/C19H24N4O2/c1-4-9-23(10-5-2)19(25)17-12-18(21-13-20-17)22-16-8-6-7-15(11-16)14(3)24/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,20,21,22)
InChIKeyGUWGISFAXSXDEO-UHFFFAOYSA-N
XLogP3.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458
6-(3-acetylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354575
6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355343
4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090588
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 46327059
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109352004
5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286799
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356
1-[3-[[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112857842
6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355356
N,N-dipropyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338325

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109355386) is 6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2cccc(C(C)=O)c2)ncn1.
What is the InChIKey of 6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is GUWGISFAXSXDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-9-23(10-5-2)19(25)17-12-18(21-13-20-17)22-16-8-6-7-15(11-16)14(3)24/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,20,21,22).
What are the key properties of 6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).