6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide

C25H31N7O — CID 175501407

IUPAC6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide
SMILESCCCc1ccccc1Nc1cc(Nc2ccc(N3CCN(C)CC3)cn2)ncc1C(N)=O
InChIInChI=1S/C25H31N7O/c1-3-6-18-7-4-5-8-21(18)29-22-15-24(28-17-20(22)25(26)33)30-23-10-9-19(16-27-23)32-13-11-31(2)12-14-32/h4-5,7-10,15-17H,3,6,11-14H2,1-2H3,(H2,26,33)(H2,27,28,29,30)
InChIKeyMBBLFDZJEVDZEG-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.77
Rot. Bonds8

About 6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide

6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide (PubChem CID 175501407) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide
PubChem CID175501407
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide
SMILESCCCc1ccccc1Nc1cc(Nc2ccc(N3CCN(C)CC3)cn2)ncc1C(N)=O
InChIInChI=1S/C25H31N7O/c1-3-6-18-7-4-5-8-21(18)29-22-15-24(28-17-20(22)25(26)33)30-23-10-9-19(16-27-23)32-13-11-31(2)12-14-32/h4-5,7-10,15-17H,3,6,11-14H2,1-2H3,(H2,26,33)(H2,27,28,29,30)
InChIKeyMBBLFDZJEVDZEG-UHFFFAOYSA-N
XLogP3.77
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide (CID 175501407) is 6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide is CCCc1ccccc1Nc1cc(Nc2ccc(N3CCN(C)CC3)cn2)ncc1C(N)=O.
What is the InChIKey of 6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide?
The InChIKey is MBBLFDZJEVDZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-3-6-18-7-4-5-8-21(18)29-22-15-24(28-17-20(22)25(26)33)30-23-10-9-19(16-27-23)32-13-11-31(2)12-14-32/h4-5,7-10,15-17H,3,6,11-14H2,1-2H3,(H2,26,33)(H2,27,28,29,30).
What are the key properties of 6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide?
6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 175501407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).