3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide

C18H18ClN3O2 — CID 97240661

IUPAC3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide
SMILESC[C@@H]1CC[C@@H](NC(=O)c2ncc(C(N)=O)cc2Cl)c2ccccc21
InChIInChI=1S/C18H18ClN3O2/c1-10-6-7-15(13-5-3-2-4-12(10)13)22-18(24)16-14(19)8-11(9-21-16)17(20)23/h2-5,8-10,15H,6-7H2,1H3,(H2,20,23)(H,22,24)/t10-,15-/m1/s1
InChIKeyLAJSRAKHPGQIBZ-MEBBXXQBSA-N
MW343.81 g/mol
LogP3.20
Rot. Bonds3

About 3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide

3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide (PubChem CID 97240661) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide
PubChem CID97240661
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide
SMILESC[C@@H]1CC[C@@H](NC(=O)c2ncc(C(N)=O)cc2Cl)c2ccccc21
InChIInChI=1S/C18H18ClN3O2/c1-10-6-7-15(13-5-3-2-4-12(10)13)22-18(24)16-14(19)8-11(9-21-16)17(20)23/h2-5,8-10,15H,6-7H2,1H3,(H2,20,23)(H,22,24)/t10-,15-/m1/s1
InChIKeyLAJSRAKHPGQIBZ-MEBBXXQBSA-N
XLogP3.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 75431685
2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid
CID 120550972
methyl (3R,4R)-1-(5-carbamoyl-3-chloropyridine-2-carbonyl)-3-methylpiperidine-4-carboxylate
CID 99794304
3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide
CID 166208107
methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 115418277
5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide
CID 95770496
5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 133357797
5-chloro-N-[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]pyrimidine-4-carboxamide
CID 124609054
N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418225
2,2-dimethyl-3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 103917146
(3S)-2-(5-carbamoyl-3-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 167800310
6-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072949

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide?
The IUPAC name of 3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide (CID 97240661) is 3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide is C[C@@H]1CC[C@@H](NC(=O)c2ncc(C(N)=O)cc2Cl)c2ccccc21.
What is the InChIKey of 3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide?
The InChIKey is LAJSRAKHPGQIBZ-MEBBXXQBSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-10-6-7-15(13-5-3-2-4-12(10)13)22-18(24)16-14(19)8-11(9-21-16)17(20)23/h2-5,8-10,15H,6-7H2,1H3,(H2,20,23)(H,22,24)/t10-,15-/m1/s1.
What are the key properties of 3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide?
3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide has a molecular weight of 343.81 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[(1R,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 97240661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).