N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide

C18H17ClN4O2 — CID 177140115

IUPACN-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3ccc(Cl)cc3n2C)nc1C(N)=O
InChIInChI=1S/C18H17ClN4O2/c1-10-3-6-13(22-16(10)17(20)24)9-21-18(25)15-7-11-4-5-12(19)8-14(11)23(15)2/h3-8H,9H2,1-2H3,(H2,20,24)(H,21,25)
InChIKeyBBPCPPPEUWJNDY-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.56
Rot. Bonds4

About N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide

N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide (PubChem CID 177140115) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide
PubChem CID177140115
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3ccc(Cl)cc3n2C)nc1C(N)=O
InChIInChI=1S/C18H17ClN4O2/c1-10-3-6-13(22-16(10)17(20)24)9-21-18(25)15-7-11-4-5-12(19)8-14(11)23(15)2/h3-8H,9H2,1-2H3,(H2,20,24)(H,21,25)
InChIKeyBBPCPPPEUWJNDY-UHFFFAOYSA-N
XLogP2.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 177140343
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
CID 110833586
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
CID 99949687
6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide
CID 177139910
(4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
CID 177140251
N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide
CID 177140237
N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide
CID 177140137
N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide
CID 110850455
6-chloro-N-[1-(2-cyclopropylpyrimidin-5-yl)ethyl]-1-methylindole-2-carboxamide
CID 177140177
6-chloro-N-[(1S)-1-[4-(cyanomethyl)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177140014

Frequently Asked Questions

What is the IUPAC name of N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide?
The IUPAC name of N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide (CID 177140115) is N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide is Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3n2C)nc1C(N)=O.
What is the InChIKey of N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide?
The InChIKey is BBPCPPPEUWJNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-10-3-6-13(22-16(10)17(20)24)9-21-18(25)15-7-11-4-5-12(19)8-14(11)23(15)2/h3-8H,9H2,1-2H3,(H2,20,24)(H,21,25).
What are the key properties of N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide?
N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide is sourced from PubChem (CID 177140115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).