N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide

C24H30N8O4 — CID 171654288

IUPACN-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(NCCC(=O)Nc2cnn(CC(=O)N(C)CCOc3ccc(C)cc3)c2)nc1
InChIInChI=1S/C24H30N8O4/c1-17-4-6-20(7-5-17)36-11-10-31(3)22(34)16-32-15-19(14-29-32)30-21(33)8-9-26-24-27-12-18(13-28-24)23(35)25-2/h4-7,12-15H,8-11,16H2,1-3H3,(H,25,35)(H,30,33)(H,26,27,28)
InChIKeyKDIMPXQDHXUQKM-UHFFFAOYSA-N
MW494.56 g/mol
LogP1.32
Rot. Bonds12

About N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide

N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide (PubChem CID 171654288) has the molecular formula C24H30N8O4 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide
PubChem CID171654288
Molecular FormulaC24H30N8O4
Molecular Weight494.56 g/mol
Exact Mass494.24
IUPAC NameN-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(NCCC(=O)Nc2cnn(CC(=O)N(C)CCOc3ccc(C)cc3)c2)nc1
InChIInChI=1S/C24H30N8O4/c1-17-4-6-20(7-5-17)36-11-10-31(3)22(34)16-32-15-19(14-29-32)30-21(33)8-9-26-24-27-12-18(13-28-24)23(35)25-2/h4-7,12-15H,8-11,16H2,1-3H3,(H,25,35)(H,30,33)(H,26,27,28)
InChIKeyKDIMPXQDHXUQKM-UHFFFAOYSA-N
XLogP1.32
TPSA143.37 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654364
N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide
CID 171654521
3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654347
N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(5-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 171654554
CID 171654567
CID 171654567
3-[(3-fluoro-5-prop-1-en-2-yl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654292
3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 166148005
methyl N-[4-[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropoxy]-2-pyridinyl]carbamate
CID 171654504
3-[(3-bromo-5-fluoro-4-pyridinyl)oxy]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654551
3-[(4-fluoropyrimidin-2-yl)amino]-3-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide
CID 171654365
ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 178043698
N-[1-[2-[2-(3,5-difluoro-4-methylphenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-(2-fluoro-4-methylphenoxy)propanamide
CID 171654381

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide (CID 171654288) is N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide is CNC(=O)c1cnc(NCCC(=O)Nc2cnn(CC(=O)N(C)CCOc3ccc(C)cc3)c2)nc1.
What is the InChIKey of N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide?
The InChIKey is KDIMPXQDHXUQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O4/c1-17-4-6-20(7-5-17)36-11-10-31(3)22(34)16-32-15-19(14-29-32)30-21(33)8-9-26-24-27-12-18(13-28-24)23(35)25-2/h4-7,12-15H,8-11,16H2,1-3H3,(H,25,35)(H,30,33)(H,26,27,28).
What are the key properties of N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide?
N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide has a molecular weight of 494.56 g/mol, XLogP of 1.32, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 171654288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).