N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide

C27H34N6O3 — CID 162754006

IUPACN-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide
SMILESCOc1cc(N2CCN(C)c3cc(N4CCCC(NC(C)=O)C4)ncc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C27H34N6O3/c1-17-11-21-22(31(4)27(17)35)12-20(36-5)13-23(21)33-10-9-30(3)24-14-26(28-15-25(24)33)32-8-6-7-19(16-32)29-18(2)34/h11-15,19H,6-10,16H2,1-5H3,(H,29,34)
InChIKeyBYDASKDNXZFYSO-UHFFFAOYSA-N
MW490.61 g/mol
LogP2.94
Rot. Bonds4

About N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide

N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide (PubChem CID 162754006) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide
PubChem CID162754006
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC NameN-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide
SMILESCOc1cc(N2CCN(C)c3cc(N4CCCC(NC(C)=O)C4)ncc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C27H34N6O3/c1-17-11-21-22(31(4)27(17)35)12-20(36-5)13-23(21)33-10-9-30(3)24-14-26(28-15-25(24)33)32-8-6-7-19(16-32)29-18(2)34/h11-15,19H,6-10,16H2,1-5H3,(H,29,34)
InChIKeyBYDASKDNXZFYSO-UHFFFAOYSA-N
XLogP2.94
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide with MolForge

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Related Compounds

7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one
CID 162753615
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
N-[(3R)-1-[5-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 136759903
N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide
CID 145270654
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172903824
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059854
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
tert-butyl N-[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408080
tert-butyl N-[(3R)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408081

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide (CID 162754006) is N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide is COc1cc(N2CCN(C)c3cc(N4CCCC(NC(C)=O)C4)ncc32)c2cc(C)c(=O)n(C)c2c1.
What is the InChIKey of N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide?
The InChIKey is BYDASKDNXZFYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-17-11-21-22(31(4)27(17)35)12-20(36-5)13-23(21)33-10-9-30(3)24-14-26(28-15-25(24)33)32-8-6-7-19(16-32)29-18(2)34/h11-15,19H,6-10,16H2,1-5H3,(H,29,34).
What are the key properties of N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide?
N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide has a molecular weight of 490.61 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 162754006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).