N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide

C20H28N6O — CID 133307236

IUPACN-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(C)CN2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C20H28N6O/c1-3-21-20(27)17-7-8-18(23-14-17)24-16(2)15-25-10-12-26(13-11-25)19-6-4-5-9-22-19/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,21,27)(H,23,24)
InChIKeyBPBOKFHTNQVGRJ-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.85
Rot. Bonds7

About N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide

N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide (PubChem CID 133307236) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
PubChem CID133307236
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(C)CN2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C20H28N6O/c1-3-21-20(27)17-7-8-18(23-14-17)24-16(2)15-25-10-12-26(13-11-25)19-6-4-5-9-22-19/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,21,27)(H,23,24)
InChIKeyBPBOKFHTNQVGRJ-UHFFFAOYSA-N
XLogP1.85
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339849
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133307275
5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271
N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide
CID 133316637
6-methylsulfanyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridazin-3-amine
CID 133307184
6-ethyl-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133460945
3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86968778
2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide
CID 133307208
4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
CID 133307289
N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 24719420

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide (CID 133307236) is N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide is CCNC(=O)c1ccc(NC(C)CN2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide?
The InChIKey is BPBOKFHTNQVGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-3-21-20(27)17-7-8-18(23-14-17)24-16(2)15-25-10-12-26(13-11-25)19-6-4-5-9-22-19/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,21,27)(H,23,24).
What are the key properties of N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide?
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133307236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).