N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide

C19H26N6O2 — CID 154794170

IUPACN-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide
SMILESCO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC(=O)Cc1cc(C)ccn1
InChIInChI=1S/C19H26N6O2/c1-13-5-7-20-14(9-13)10-18(26)22-15-11-25(12-16(15)27-4)17-6-8-21-19(23-17)24(2)3/h5-9,15-16H,10-12H2,1-4H3,(H,22,26)/t15-,16+/m0/s1
InChIKeyLLTUGBJPBHYWCH-JKSUJKDBSA-N
MW370.46 g/mol
LogP0.81
Rot. Bonds6

About N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide

N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide (PubChem CID 154794170) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide
PubChem CID154794170
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide
SMILESCO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC(=O)Cc1cc(C)ccn1
InChIInChI=1S/C19H26N6O2/c1-13-5-7-20-14(9-13)10-18(26)22-15-11-25(12-16(15)27-4)17-6-8-21-19(23-17)24(2)3/h5-9,15-16H,10-12H2,1-4H3,(H,22,26)/t15-,16+/m0/s1
InChIKeyLLTUGBJPBHYWCH-JKSUJKDBSA-N
XLogP0.81
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyano-N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]acetamide
CID 146113441
N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide
CID 146113439
N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-2-(1-methylindol-2-yl)acetamide
CID 146113462
N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine
CID 167979109
N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]-4-(2,5-difluorophenyl)butanamide
CID 146113488
4-[(3R,4S)-3-methoxy-4-[(4-methoxy-1H-indol-5-yl)methylamino]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 146112046
(3S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085574
benzyl N-[(3S,4S)-1-(2-aminopyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]carbamate
CID 178108142
4-[(3S,4R)-3-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)-4-methoxypyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 154798422
4-[(3S,4R)-3-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-4-methoxypyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 146112058
N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 167966193
ethane;methyl 2-(4-methyl-2-pyridinyl)acetate
CID 144506268

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide (CID 154794170) is N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide is CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC(=O)Cc1cc(C)ccn1.
What is the InChIKey of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is LLTUGBJPBHYWCH-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-5-7-20-14(9-13)10-18(26)22-15-11-25(12-16(15)27-4)17-6-8-21-19(23-17)24(2)3/h5-9,15-16H,10-12H2,1-4H3,(H,22,26)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide?
N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 370.46 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 154794170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).