4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene

C19H21N5O4S — CID 69122538

IUPAC4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene
SMILESCc1cccc(CNS(N)(=O)=O)c1.Cc1nc(-c2cccnc2)ncc1C(=O)O
InChIInChI=1S/C11H9N3O2.C8H12N2O2S/c1-7-9(11(15)16)6-13-10(14-7)8-3-2-4-12-5-8;1-7-3-2-4-8(5-7)6-10-13(9,11)12/h2-6H,1H3,(H,15,16);2-5,10H,6H2,1H3,(H2,9,11,12)
InChIKeyBDLIPSPCXOSJPF-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.83
Rot. Bonds5

About 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene

4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene (PubChem CID 69122538) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene
PubChem CID69122538
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene
SMILESCc1cccc(CNS(N)(=O)=O)c1.Cc1nc(-c2cccnc2)ncc1C(=O)O
InChIInChI=1S/C11H9N3O2.C8H12N2O2S/c1-7-9(11(15)16)6-13-10(14-7)8-3-2-4-12-5-8;1-7-3-2-4-8(5-7)6-10-13(9,11)12/h2-6H,1H3,(H,15,16);2-5,10H,6H2,1H3,(H2,9,11,12)
InChIKeyBDLIPSPCXOSJPF-UHFFFAOYSA-N
XLogP1.83
TPSA148.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[(sulfamoylamino)methyl]benzene;2-phenylpyrimidine-5-carboxylic acid
CID 69163746
2-(4-fluorophenyl)pyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 69122712
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 59517703
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74238214
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 70767205
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516
1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53332549
2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid
CID 95889304

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene?
The IUPAC name of 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene (CID 69122538) is 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene.
What is the SMILES notation for 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene?
The canonical SMILES for 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene is Cc1cccc(CNS(N)(=O)=O)c1.Cc1nc(-c2cccnc2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene?
The InChIKey is BDLIPSPCXOSJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2.C8H12N2O2S/c1-7-9(11(15)16)6-13-10(14-7)8-3-2-4-12-5-8;1-7-3-2-4-8(5-7)6-10-13(9,11)12/h2-6H,1H3,(H,15,16);2-5,10H,6H2,1H3,(H2,9,11,12).
What are the key properties of 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene?
4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene has a molecular weight of 415.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene is sourced from PubChem (CID 69122538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).