6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide

C15H17N5O2 — CID 154795861

IUPAC6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide
SMILESCCC(=O)Nc1cccc(CNc2cc(C(N)=O)ncn2)c1
InChIInChI=1S/C15H17N5O2/c1-2-14(21)20-11-5-3-4-10(6-11)8-17-13-7-12(15(16)22)18-9-19-13/h3-7,9H,2,8H2,1H3,(H2,16,22)(H,20,21)(H,17,18,19)
InChIKeyLXNFPCPXEMMIJC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.54
Rot. Bonds6

About 6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide

6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide (PubChem CID 154795861) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide
PubChem CID154795861
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide
SMILESCCC(=O)Nc1cccc(CNc2cc(C(N)=O)ncn2)c1
InChIInChI=1S/C15H17N5O2/c1-2-14(21)20-11-5-3-4-10(6-11)8-17-13-7-12(15(16)22)18-9-19-13/h3-7,9H,2,8H2,1H3,(H2,16,22)(H,20,21)(H,17,18,19)
InChIKeyLXNFPCPXEMMIJC-UHFFFAOYSA-N
XLogP1.54
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347330
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612
N-(3-benzylphenyl)propanamide
CID 70797974
N-[3-[(3-methoxyphenyl)methylamino]phenyl]propanamide
CID 28661894
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347135
2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 119438522

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide?
The IUPAC name of 6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide (CID 154795861) is 6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide is CCC(=O)Nc1cccc(CNc2cc(C(N)=O)ncn2)c1.
What is the InChIKey of 6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide?
The InChIKey is LXNFPCPXEMMIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-2-14(21)20-11-5-3-4-10(6-11)8-17-13-7-12(15(16)22)18-9-19-13/h3-7,9H,2,8H2,1H3,(H2,16,22)(H,20,21)(H,17,18,19).
What are the key properties of 6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide?
6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 154795861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).