N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide

C26H36N6O4 — CID 87055781

IUPACN-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C)C)cc1Nc1ccc2c(n1)N(C1CCOCC1)[C@H](C)C(=O)N2C
InChIInChI=1S/C26H36N6O4/c1-17-26(34)31(4)21-7-9-23(29-24(21)32(17)19-10-14-36-15-11-19)28-20-16-18(6-8-22(20)35-5)25(33)27-12-13-30(2)3/h6-9,16-17,19H,10-15H2,1-5H3,(H,27,33)(H,28,29)/t17-/m1/s1
InChIKeyRJDZUKKQBBTXOW-QGZVFWFLSA-N
MW496.61 g/mol
LogP2.48
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide

N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide (PubChem CID 87055781) has the molecular formula C26H36N6O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide
PubChem CID87055781
Molecular FormulaC26H36N6O4
Molecular Weight496.61 g/mol
Exact Mass496.28
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C)C)cc1Nc1ccc2c(n1)N(C1CCOCC1)[C@H](C)C(=O)N2C
InChIInChI=1S/C26H36N6O4/c1-17-26(34)31(4)21-7-9-23(29-24(21)32(17)19-10-14-36-15-11-19)28-20-16-18(6-8-22(20)35-5)25(33)27-12-13-30(2)3/h6-9,16-17,19H,10-15H2,1-5H3,(H,27,33)(H,28,29)/t17-/m1/s1
InChIKeyRJDZUKKQBBTXOW-QGZVFWFLSA-N
XLogP2.48
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide with MolForge

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Related Compounds

methyl 4-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methylbenzoate
CID 121454245
4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-(3-propoxypropyl)benzamide
CID 140941648
4-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 76903348
(3R)-6-(4-acetyl-2-methoxyanilino)-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 121424054
cyclopropylmethyl 4-[[(3S)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxybenzoate
CID 145256246
6-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-1,3-dimethyl-4-(oxan-4-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 118608402
(3R)-6-[5-ethylsulfonyl-2-(4-fluorophenoxy)anilino]-1,3-dimethyl-4-(oxan-4-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 118609000
4-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzenesulfinic acid
CID 118608404
(3R)-6-(2-methoxy-5-propan-2-ylsulfonylanilino)-1,3-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-3H-pyrido[2,3-b]pyrazin-2-one
CID 118608972
(3R)-4-cyclohexyl-6-[4-(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptane-6-carbonyl)-2-methoxyanilino]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 76901448
5-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methylbenzenesulfonamide
CID 87055030
4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 76902209

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide (CID 87055781) is N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide is COc1ccc(C(=O)NCCN(C)C)cc1Nc1ccc2c(n1)N(C1CCOCC1)[C@H](C)C(=O)N2C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide?
The InChIKey is RJDZUKKQBBTXOW-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H36N6O4/c1-17-26(34)31(4)21-7-9-23(29-24(21)32(17)19-10-14-36-15-11-19)28-20-16-18(6-8-22(20)35-5)25(33)27-12-13-30(2)3/h6-9,16-17,19H,10-15H2,1-5H3,(H,27,33)(H,28,29)/t17-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide?
N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide has a molecular weight of 496.61 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-4-methoxybenzamide is sourced from PubChem (CID 87055781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).