4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide

C26H25N7O2 — CID 46868960

IUPAC4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(N5CCCC5)c4)c3)ncnc12
InChIInChI=1S/C26H25N7O2/c27-24(34)21-7-4-8-22-23(21)30-16-31-25(22)29-13-17-5-3-6-19(11-17)32-26(35)18-12-20(15-28-14-18)33-9-1-2-10-33/h3-8,11-12,14-16H,1-2,9-10,13H2,(H2,27,34)(H,32,35)(H,29,30,31)
InChIKeySKTCDUXPKLCJIP-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.59
Rot. Bonds7

About 4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 46868960) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID46868960
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(N5CCCC5)c4)c3)ncnc12
InChIInChI=1S/C26H25N7O2/c27-24(34)21-7-4-8-22-23(21)30-16-31-25(22)29-13-17-5-3-6-19(11-17)32-26(35)18-12-20(15-28-14-18)33-9-1-2-10-33/h3-8,11-12,14-16H,1-2,9-10,13H2,(H2,27,34)(H,32,35)(H,29,30,31)
InChIKeySKTCDUXPKLCJIP-UHFFFAOYSA-N
XLogP3.59
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 46868960) is 4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(N5CCCC5)c4)c3)ncnc12.
What is the InChIKey of 4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is SKTCDUXPKLCJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c27-24(34)21-7-4-8-22-23(21)30-16-31-25(22)29-13-17-5-3-6-19(11-17)32-26(35)18-12-20(15-28-14-18)33-9-1-2-10-33/h3-8,11-12,14-16H,1-2,9-10,13H2,(H2,27,34)(H,32,35)(H,29,30,31).
What are the key properties of 4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 46868960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).