N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide

C17H26N4O3 — CID 72941060

IUPACN-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOc1ccnc(N2C[C@H](NC(=O)C(C)(C)OC)[C@@H](C3CC3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-17(2,24-4)15(22)19-13-10-21(9-12(13)11-5-6-11)16-18-8-7-14(20-16)23-3/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,19,22)/t12-,13+/m1/s1
InChIKeyOOLJZWQZISQSJT-OLZOCXBDSA-N
MW334.42 g/mol
LogP1.24
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide

N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide (PubChem CID 72941060) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide
PubChem CID72941060
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOc1ccnc(N2C[C@H](NC(=O)C(C)(C)OC)[C@@H](C3CC3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-17(2,24-4)15(22)19-13-10-21(9-12(13)11-5-6-11)16-18-8-7-14(20-16)23-3/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,19,22)/t12-,13+/m1/s1
InChIKeyOOLJZWQZISQSJT-OLZOCXBDSA-N
XLogP1.24
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide (CID 72941060) is N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide is COc1ccnc(N2C[C@H](NC(=O)C(C)(C)OC)[C@@H](C3CC3)C2)n1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide?
The InChIKey is OOLJZWQZISQSJT-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,24-4)15(22)19-13-10-21(9-12(13)11-5-6-11)16-18-8-7-14(20-16)23-3/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,19,22)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide?
N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 72941060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).