N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide

C23H24N6O2 — CID 162526901

IUPACN-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide
SMILESC=CC(=O)Nc1ccnc2ccc(-c3nccc(C(=O)NC4CCN(C)CC4)n3)cc12
InChIInChI=1S/C23H24N6O2/c1-3-21(30)27-19-6-10-24-18-5-4-15(14-17(18)19)22-25-11-7-20(28-22)23(31)26-16-8-12-29(2)13-9-16/h3-7,10-11,14,16H,1,8-9,12-13H2,2H3,(H,26,31)(H,24,27,30)
InChIKeyQZIIQYFMVRDMTK-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.64
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide

N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide (PubChem CID 162526901) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide
PubChem CID162526901
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide
SMILESC=CC(=O)Nc1ccnc2ccc(-c3nccc(C(=O)NC4CCN(C)CC4)n3)cc12
InChIInChI=1S/C23H24N6O2/c1-3-21(30)27-19-6-10-24-18-5-4-15(14-17(18)19)22-25-11-7-20(28-22)23(31)26-16-8-12-29(2)13-9-16/h3-7,10-11,14,16H,1,8-9,12-13H2,2H3,(H,26,31)(H,24,27,30)
InChIKeyQZIIQYFMVRDMTK-UHFFFAOYSA-N
XLogP2.64
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-formylpyrimidin-2-yl)quinolin-4-yl]prop-2-enamide;1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine
CID 162526702
6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 162527086
2-[8-(2-cyanoprop-2-enylamino)-7-propan-2-yloxynaphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
CID 162528122
N-[3-chloro-5-[4-(methylamino)quinolin-6-yl]phenyl]prop-2-enamide
CID 162526824
N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide
CID 162526776
2-chloro-N-[7-(4-formylpyrimidin-2-yl)naphthalen-1-yl]acetamide;N,1-dimethylpiperidin-4-amine
CID 162528198
3-fluoro-N-[6-[3-(prop-2-enoylamino)phenyl]quinolin-4-yl]benzamide
CID 162527103
6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 162526997
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
N,1-dimethylpiperidin-4-amine;N-[7-(6-formyl-2-pyridinyl)naphthalen-1-yl]prop-2-enamide;2-(methylamino)acetaldehyde
CID 162527654
N-[3-[6,7-dimethoxy-4-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]phenyl]prop-2-enamide
CID 169450111

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide (CID 162526901) is N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide is C=CC(=O)Nc1ccnc2ccc(-c3nccc(C(=O)NC4CCN(C)CC4)n3)cc12.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide?
The InChIKey is QZIIQYFMVRDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-3-21(30)27-19-6-10-24-18-5-4-15(14-17(18)19)22-25-11-7-20(28-22)23(31)26-16-8-12-29(2)13-9-16/h3-7,10-11,14,16H,1,8-9,12-13H2,2H3,(H,26,31)(H,24,27,30).
What are the key properties of N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide?
N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162526901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).