4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide

C16H16Cl2N3O3+ — CID 144634893

IUPAC4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2c(Cl)c[nH+]cc2Cl)cc1OCC1CC1
InChIInChI=1S/C16H15Cl2N3O3/c1-23-14-7-20-12(4-13(14)24-8-9-2-3-9)16(22)21-15-10(17)5-19-6-11(15)18/h4-7,9H,2-3,8H2,1H3,(H,19,21,22)/p+1
InChIKeyZJCYWUQFIWJNFZ-UHFFFAOYSA-O
MW369.23 g/mol
LogP3.25
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide

4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide (PubChem CID 144634893) has the molecular formula C16H16Cl2N3O3+ and a molecular weight of 369.23 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide
PubChem CID144634893
Molecular FormulaC16H16Cl2N3O3+
Molecular Weight369.23 g/mol
Exact Mass368.06
IUPAC Name4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2c(Cl)c[nH+]cc2Cl)cc1OCC1CC1
InChIInChI=1S/C16H15Cl2N3O3/c1-23-14-7-20-12(4-13(14)24-8-9-2-3-9)16(22)21-15-10(17)5-19-6-11(15)18/h4-7,9H,2-3,8H2,1H3,(H,19,21,22)/p+1
InChIKeyZJCYWUQFIWJNFZ-UHFFFAOYSA-O
XLogP3.25
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide with MolForge

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Related Compounds

[5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite
CID 67235250
1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol
CID 157148379
ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate
CID 22145804
2-[[5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)pyridine-2-carbonyl]amino]-2-ethylbutanoic acid
CID 170158074
5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-N-(3,5-dichloro-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118475859
5-ethoxy-N-hydroxy-4-methoxypyridine-2-carboxamide
CID 175442250
1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(3,5-dichloro-4-pyridinyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate
CID 175332398
[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(3,5-dichloro-4-pyridinyl)carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate
CID 158017359
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
2-amino-1-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanone
CID 117427475
[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
CID 176715559

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide (CID 144634893) is 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide is COc1cnc(C(=O)Nc2c(Cl)c[nH+]cc2Cl)cc1OCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide?
The InChIKey is ZJCYWUQFIWJNFZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-23-14-7-20-12(4-13(14)24-8-9-2-3-9)16(22)21-15-10(17)5-19-6-11(15)18/h4-7,9H,2-3,8H2,1H3,(H,19,21,22)/p+1.
What are the key properties of 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide?
4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide has a molecular weight of 369.23 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 144634893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).