1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

C20H21ClN6O — CID 133286270

IUPAC1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H21ClN6O/c21-15-3-4-16-17(10-15)25-12-26-19(16)24-11-14-2-1-7-23-20(14)27-8-5-13(6-9-27)18(22)28/h1-4,7,10,12-13H,5-6,8-9,11H2,(H2,22,28)(H,24,25,26)
InChIKeyQLFGSFWSQFVMRX-UHFFFAOYSA-N
MW396.88 g/mol
LogP2.99
Rot. Bonds5

About 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 133286270) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID133286270
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H21ClN6O/c21-15-3-4-16-17(10-15)25-12-26-19(16)24-11-14-2-1-7-23-20(14)27-8-5-13(6-9-27)18(22)28/h1-4,7,10,12-13H,5-6,8-9,11H2,(H2,22,28)(H,24,25,26)
InChIKeyQLFGSFWSQFVMRX-UHFFFAOYSA-N
XLogP2.99
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286301
1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 86793900
1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286261
1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286263
1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286260
1-[3-[[(2-anilinoacetyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride
CID 119877052
1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 56827310
1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 103880534
1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286281
[4-[[(7-chloroquinazolin-4-yl)amino]methyl]phenyl]urea
CID 86917015
1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane
CID 178127443
1-[3-[[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111635995

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 133286270) is 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncccc2CNc2ncnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is QLFGSFWSQFVMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c21-15-3-4-16-17(10-15)25-12-26-19(16)24-11-14-2-1-7-23-20(14)27-8-5-13(6-9-27)18(22)28/h1-4,7,10,12-13H,5-6,8-9,11H2,(H2,22,28)(H,24,25,26).
What are the key properties of 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 133286270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).