N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride

C30H28Cl2N6O3 — CID 69350924

IUPACN-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1ccccc1N(C(=O)C1CCNCC1)c1ccncc1
InChIInChI=1S/C30H27ClN6O3.ClH/c31-21-9-10-27(34-19-21)36-28(38)23-5-1-3-7-25(23)35-29(39)24-6-2-4-8-26(24)37(22-13-17-33-18-14-22)30(40)20-11-15-32-16-12-20;/h1-10,13-14,17-20,32H,11-12,15-16H2,(H,35,39)(H,34,36,38);1H
InChIKeyDGVOUGNLGQHDDL-UHFFFAOYSA-N
MW591.50 g/mol
LogP5.72
Rot. Bonds7

About N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride

N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 69350924) has the molecular formula C30H28Cl2N6O3 and a molecular weight of 591.50 g/mol. Its IUPAC name is N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID69350924
Molecular FormulaC30H28Cl2N6O3
Molecular Weight591.50 g/mol
Exact Mass590.16
IUPAC NameN-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1ccccc1N(C(=O)C1CCNCC1)c1ccncc1
InChIInChI=1S/C30H27ClN6O3.ClH/c31-21-9-10-27(34-19-21)36-28(38)23-5-1-3-7-25(23)35-29(39)24-6-2-4-8-26(24)37(22-13-17-33-18-14-22)30(40)20-11-15-32-16-12-20;/h1-10,13-14,17-20,32H,11-12,15-16H2,(H,35,39)(H,34,36,38);1H
InChIKeyDGVOUGNLGQHDDL-UHFFFAOYSA-N
XLogP5.72
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.50
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide
CID 173199600
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 75469998
N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride
CID 157245051
N-(5-chloro-2-pyridinyl)-3-[(4-methylsulfanyl-2-piperidin-4-yloxybenzoyl)amino]pyridine-2-carboxamide
CID 11620252
iodomethane;[(3S)-1-pyridin-4-ylpyrrolidin-3-yl] N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamate
CID 159412496
N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide
CID 54529053
N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide
CID 91942882
N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide
CID 54546440
N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
CID 59089747
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 20598018

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride (CID 69350924) is N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1ccccc1N(C(=O)C1CCNCC1)c1ccncc1.
What is the InChIKey of N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DGVOUGNLGQHDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN6O3.ClH/c31-21-9-10-27(34-19-21)36-28(38)23-5-1-3-7-25(23)35-29(39)24-6-2-4-8-26(24)37(22-13-17-33-18-14-22)30(40)20-11-15-32-16-12-20;/h1-10,13-14,17-20,32H,11-12,15-16H2,(H,35,39)(H,34,36,38);1H.
What are the key properties of N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 591.50 g/mol, XLogP of 5.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 69350924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).