N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide

C22H30N6O3 — CID 95830244

IUPACN-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCOCCN1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)c3ccc(C)nc3)n2)CC1=O
InChIInChI=1S/C22H30N6O3/c1-15-6-7-16(12-23-15)22(30)27(4)14-19-24-18(11-20(25-19)26(2)3)17-10-21(29)28(13-17)8-9-31-5/h6-7,11-12,17H,8-10,13-14H2,1-5H3/t17-/m1/s1
InChIKeyBCYDQQFWCLENMW-QGZVFWFLSA-N
MW426.52 g/mol
LogP1.48
Rot. Bonds8

About N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide

N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 95830244) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
PubChem CID95830244
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC NameN-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCOCCN1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)c3ccc(C)nc3)n2)CC1=O
InChIInChI=1S/C22H30N6O3/c1-15-6-7-16(12-23-15)22(30)27(4)14-19-24-18(11-20(25-19)26(2)3)17-10-21(29)28(13-17)8-9-31-5/h6-7,11-12,17H,8-10,13-14H2,1-5H3/t17-/m1/s1
InChIKeyBCYDQQFWCLENMW-QGZVFWFLSA-N
XLogP1.48
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide (CID 95830244) is N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide is COCCN1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)c3ccc(C)nc3)n2)CC1=O.
What is the InChIKey of N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is BCYDQQFWCLENMW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H30N6O3/c1-15-6-7-16(12-23-15)22(30)27(4)14-19-24-18(11-20(25-19)26(2)3)17-10-21(29)28(13-17)8-9-31-5/h6-7,11-12,17H,8-10,13-14H2,1-5H3/t17-/m1/s1.
What are the key properties of N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide?
N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 95830244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).