N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C24H30N4O3 — CID 71035742

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H30N4O3/c1-16(2)12-28-15-26-23-21(24(28)30)20(17(3)31-23)22(29)25-11-19-9-10-27(14-19)13-18-7-5-4-6-8-18/h4-8,15-16,19H,9-14H2,1-3H3,(H,25,29)
InChIKeyOKOKLGJMDYXMNZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.21
Rot. Bonds7

About N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 71035742) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID71035742
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H30N4O3/c1-16(2)12-28-15-26-23-21(24(28)30)20(17(3)31-23)22(29)25-11-19-9-10-27(14-19)13-18-7-5-4-6-8-18/h4-8,15-16,19H,9-14H2,1-3H3,(H,25,29)
InChIKeyOKOKLGJMDYXMNZ-UHFFFAOYSA-N
XLogP3.21
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209538
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209371
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one
CID 53209401
5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950231
2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
CID 95199115
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136543535
2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119233863
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 71035742) is N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is OKOKLGJMDYXMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16(2)12-28-15-26-23-21(24(28)30)20(17(3)31-23)22(29)25-11-19-9-10-27(14-19)13-18-7-5-4-6-8-18/h4-8,15-16,19H,9-14H2,1-3H3,(H,25,29).
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 71035742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).