N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide

C26H23N5O2 — CID 60527078

IUPACN-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide
SMILESO=C(Nc1cccc(CNc2cc(C(=O)NC3CC3)c3ccccc3n2)c1)c1ccncc1
InChIInChI=1S/C26H23N5O2/c32-25(18-10-12-27-13-11-18)30-20-5-3-4-17(14-20)16-28-24-15-22(26(33)29-19-8-9-19)21-6-1-2-7-23(21)31-24/h1-7,10-15,19H,8-9,16H2,(H,28,31)(H,29,33)(H,30,32)
InChIKeyWJIGRKDNDURYGT-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.39
Rot. Bonds7

About N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide

N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide (PubChem CID 60527078) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide
PubChem CID60527078
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide
SMILESO=C(Nc1cccc(CNc2cc(C(=O)NC3CC3)c3ccccc3n2)c1)c1ccncc1
InChIInChI=1S/C26H23N5O2/c32-25(18-10-12-27-13-11-18)30-20-5-3-4-17(14-20)16-28-24-15-22(26(33)29-19-8-9-19)21-6-1-2-7-23(21)31-24/h1-7,10-15,19H,8-9,16H2,(H,28,31)(H,29,33)(H,30,32)
InChIKeyWJIGRKDNDURYGT-UHFFFAOYSA-N
XLogP4.39
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 51120966
2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
CID 133275936
N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide
CID 133361337
N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide
CID 133385061
N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 24685608
N-[3-[[(3-hydroxynaphthalene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903332
N-[3-[(pyrrolidine-3-carbonylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119861037
5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide
CID 175850177
N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
CID 133454577
N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55953105

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide (CID 60527078) is N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide is O=C(Nc1cccc(CNc2cc(C(=O)NC3CC3)c3ccccc3n2)c1)c1ccncc1.
What is the InChIKey of N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide?
The InChIKey is WJIGRKDNDURYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-25(18-10-12-27-13-11-18)30-20-5-3-4-17(14-20)16-28-24-15-22(26(33)29-19-8-9-19)21-6-1-2-7-23(21)31-24/h1-7,10-15,19H,8-9,16H2,(H,28,31)(H,29,33)(H,30,32).
What are the key properties of N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide?
N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide is sourced from PubChem (CID 60527078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).