6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide

C21H22N6O2 — CID 175501344

IUPAC6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide
SMILESCCCc1ccccc1Nc1cc(Nc2ccc(C(N)=O)cn2)ncc1C(N)=O
InChIInChI=1S/C21H22N6O2/c1-2-5-13-6-3-4-7-16(13)26-17-10-19(25-12-15(17)21(23)29)27-18-9-8-14(11-24-18)20(22)28/h3-4,6-12H,2,5H2,1H3,(H2,22,28)(H2,23,29)(H2,24,25,26,27)
InChIKeyMYGHFZYQWINQRB-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.11
Rot. Bonds8

About 6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide

6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide (PubChem CID 175501344) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide
PubChem CID175501344
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide
SMILESCCCc1ccccc1Nc1cc(Nc2ccc(C(N)=O)cn2)ncc1C(N)=O
InChIInChI=1S/C21H22N6O2/c1-2-5-13-6-3-4-7-16(13)26-17-10-19(25-12-15(17)21(23)29)27-18-9-8-14(11-24-18)20(22)28/h3-4,6-12H,2,5H2,1H3,(H2,22,28)(H2,23,29)(H2,24,25,26,27)
InChIKeyMYGHFZYQWINQRB-UHFFFAOYSA-N
XLogP3.11
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-ethylanilino)pyridine-3-carboxamide
CID 175501425
6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide
CID 175501407
5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid
CID 114919407
4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane
CID 144625201
6-(2-ethylanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109161876
6-(2-ethylhydrazinyl)pyridine-3-carboxamide
CID 125451625
4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501379
3-methyl-4-(2-propylanilino)benzoic acid
CID 63537008
6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide
CID 175501345
6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide
CID 58440318
6-(4-aminoanilino)pyridine-3-carboxamide
CID 24711286
4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501403

Frequently Asked Questions

What is the IUPAC name of 6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide (CID 175501344) is 6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide is CCCc1ccccc1Nc1cc(Nc2ccc(C(N)=O)cn2)ncc1C(N)=O.
What is the InChIKey of 6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide?
The InChIKey is MYGHFZYQWINQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-2-5-13-6-3-4-7-16(13)26-17-10-19(25-12-15(17)21(23)29)27-18-9-8-14(11-24-18)20(22)28/h3-4,6-12H,2,5H2,1H3,(H2,22,28)(H2,23,29)(H2,24,25,26,27).
What are the key properties of 6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide?
6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 175501344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).