6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C23H35ClN6O3 — CID 11296308

IUPAC6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1nc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C23H35ClN6O3/c1-33-22-18(14-19(24)20(25)27-22)21(31)26-17-6-10-28(11-7-17)15-16-4-12-30(13-5-16)23(32)29-8-2-3-9-29/h14,16-17H,2-13,15H2,1H3,(H2,25,27)(H,26,31)
InChIKeyLYTKRNPEOFBUHM-UHFFFAOYSA-N
MW479.03 g/mol
LogP2.45
Rot. Bonds5

About 6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide

6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 11296308) has the molecular formula C23H35ClN6O3 and a molecular weight of 479.03 g/mol. Its IUPAC name is 6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID11296308
Molecular FormulaC23H35ClN6O3
Molecular Weight479.03 g/mol
Exact Mass478.25
IUPAC Name6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1nc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C23H35ClN6O3/c1-33-22-18(14-19(24)20(25)27-22)21(31)26-17-6-10-28(11-7-17)15-16-4-12-30(13-5-16)23(32)29-8-2-3-9-29/h14,16-17H,2-13,15H2,1H3,(H2,25,27)(H,26,31)
InChIKeyLYTKRNPEOFBUHM-UHFFFAOYSA-N
XLogP2.45
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.03
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Chloro-N-(1,4-diethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10915622
5-Chloro-2-ethoxy-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-6-methylamino-nicotinamide
CID 11760413
6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
CID 11724735
6-Amino-5-chloro-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-nicotinamide
CID 10860791
5-Chloro-N-(1,4-dimethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10925901
5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10937177
5-Chloro-6-ethylamino-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-nicotinamide
CID 11003173
5-Chloro-N-((R)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 11810408
5-Chloro-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 44285961
6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide
CID 10064865
5-chloro-N-[(6R)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-6-methoxy-2-(methylamino)pyridine-3-carboxamide
CID 11810407
6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide
CID 10024832

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 11296308) is 6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1nc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(C(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of 6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is LYTKRNPEOFBUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN6O3/c1-33-22-18(14-19(24)20(25)27-22)21(31)26-17-6-10-28(11-7-17)15-16-4-12-30(13-5-16)23(32)29-8-2-3-9-29/h14,16-17H,2-13,15H2,1H3,(H2,25,27)(H,26,31).
What are the key properties of 6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 479.03 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 11296308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).