3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide

C23H20Cl2N6O2 — CID 46855308

IUPAC3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cn2)C(c2ccc[nH]2)C(C(=O)Nc2ccc(Cl)cn2)=C(C)N1
InChIInChI=1S/C23H20Cl2N6O2/c1-12-19(22(32)30-17-7-5-14(24)10-27-17)21(16-4-3-9-26-16)20(13(2)29-12)23(33)31-18-8-6-15(25)11-28-18/h3-11,21,26,29H,1-2H3,(H,27,30,32)(H,28,31,33)
InChIKeyQAOHWXUUWHWECM-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.62
Rot. Bonds5

About 3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide

3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 46855308) has the molecular formula C23H20Cl2N6O2 and a molecular weight of 483.36 g/mol. Its IUPAC name is 3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID46855308
Molecular FormulaC23H20Cl2N6O2
Molecular Weight483.36 g/mol
Exact Mass482.10
IUPAC Name3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cn2)C(c2ccc[nH]2)C(C(=O)Nc2ccc(Cl)cn2)=C(C)N1
InChIInChI=1S/C23H20Cl2N6O2/c1-12-19(22(32)30-17-7-5-14(24)10-27-17)21(16-4-3-9-26-16)20(13(2)29-12)23(33)31-18-8-6-15(25)11-28-18/h3-11,21,26,29H,1-2H3,(H,27,30,32)(H,28,31,33)
InChIKeyQAOHWXUUWHWECM-UHFFFAOYSA-N
XLogP4.62
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
CID 46855148
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 991929
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
N-(5-chloro-2-pyridinyl)-1H-indole-4-carboxamide
CID 43583034
N-(5-chloro-2-pyridinyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47019747
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 8548513
4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 67164027

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide (CID 46855308) is 3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(=O)Nc2ccc(Cl)cn2)C(c2ccc[nH]2)C(C(=O)Nc2ccc(Cl)cn2)=C(C)N1.
What is the InChIKey of 3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is QAOHWXUUWHWECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O2/c1-12-19(22(32)30-17-7-5-14(24)10-27-17)21(16-4-3-9-26-16)20(13(2)29-12)23(33)31-18-8-6-15(25)11-28-18/h3-11,21,26,29H,1-2H3,(H,27,30,32)(H,28,31,33).
What are the key properties of 3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 483.36 g/mol, XLogP of 4.62, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(5-chloro-2-pyridinyl)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 46855308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).