N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C22H25ClN6O2 — CID 121338346

IUPACN-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESC=CCn1cc(C(=O)N(C)C2CCN(c3cc(Cl)ncn3)CC2)c2cc(C)[nH]c2c1=O
InChIInChI=1S/C22H25ClN6O2/c1-4-7-29-12-17(16-10-14(2)26-20(16)22(29)31)21(30)27(3)15-5-8-28(9-6-15)19-11-18(23)24-13-25-19/h4,10-13,15,26H,1,5-9H2,2-3H3
InChIKeyVMVWLRXDRRMGQI-UHFFFAOYSA-N
MW440.94 g/mol
LogP3.01
Rot. Bonds5

About N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338346) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338346
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC NameN-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESC=CCn1cc(C(=O)N(C)C2CCN(c3cc(Cl)ncn3)CC2)c2cc(C)[nH]c2c1=O
InChIInChI=1S/C22H25ClN6O2/c1-4-7-29-12-17(16-10-14(2)26-20(16)22(29)31)21(30)27(3)15-5-8-28(9-6-15)19-11-18(23)24-13-25-19/h4,10-13,15,26H,1,5-9H2,2-3H3
InChIKeyVMVWLRXDRRMGQI-UHFFFAOYSA-N
XLogP3.01
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338333
N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
CID 160806015
N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen
CID 145081408
N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 162001427
N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338653
N-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133305493
1-(6-chloropyrimidin-4-yl)piperidin-4-one;ethene
CID 22000286
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603398
6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 75517462
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
1-[4-(6-chloropyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 55002987
1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine
CID 87290230

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338346) is N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is C=CCn1cc(C(=O)N(C)C2CCN(c3cc(Cl)ncn3)CC2)c2cc(C)[nH]c2c1=O.
What is the InChIKey of N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is VMVWLRXDRRMGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-4-7-29-12-17(16-10-14(2)26-20(16)22(29)31)21(30)27(3)15-5-8-28(9-6-15)19-11-18(23)24-13-25-19/h4,10-13,15,26H,1,5-9H2,2-3H3.
What are the key properties of N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 440.94 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).