N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide

C19H17Cl2N5O — CID 25255840

IUPACN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc2c(n1)CCNC2
InChIInChI=1S/C19H17Cl2N5O/c20-15-3-1-12(7-16(15)21)10-26-11-14(9-23-26)24-19(27)18-4-2-13-8-22-6-5-17(13)25-18/h1-4,7,9,11,22H,5-6,8,10H2,(H,24,27)
InChIKeyRNGMQEFGHFIQCD-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.53
Rot. Bonds4

About N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide (PubChem CID 25255840) has the molecular formula C19H17Cl2N5O and a molecular weight of 402.29 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide
PubChem CID25255840
Molecular FormulaC19H17Cl2N5O
Molecular Weight402.29 g/mol
Exact Mass401.08
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc2c(n1)CCNC2
InChIInChI=1S/C19H17Cl2N5O/c20-15-3-1-12(7-16(15)21)10-26-11-14(9-23-26)24-19(27)18-4-2-13-8-22-6-5-17(13)25-18/h1-4,7,9,11,22H,5-6,8,10H2,(H,24,27)
InChIKeyRNGMQEFGHFIQCD-UHFFFAOYSA-N
XLogP3.53
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide
CID 42597438
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 24898379
N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 59192332
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263530
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449564
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534602
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447160
N-(1-benzylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60552845
3-(1,3-benzodioxol-5-yl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19513484
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413216
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-methyl-4-nitrobenzamide
CID 1223837

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide (CID 25255840) is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide is O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc2c(n1)CCNC2.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide?
The InChIKey is RNGMQEFGHFIQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O/c20-15-3-1-12(7-16(15)21)10-26-11-14(9-23-26)24-19(27)18-4-2-13-8-22-6-5-17(13)25-18/h1-4,7,9,11,22H,5-6,8,10H2,(H,24,27).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide?
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide has a molecular weight of 402.29 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 25255840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).