N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide

C17H29N5O2 — CID 133119467

IUPACN-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCNC(=O)CN1C[C@@H](NC(=O)CCn2cc(C)cn2)[C@H](C(C)C)C1
InChIInChI=1S/C17H29N5O2/c1-12(2)14-9-21(11-17(24)18-4)10-15(14)20-16(23)5-6-22-8-13(3)7-19-22/h7-8,12,14-15H,5-6,9-11H2,1-4H3,(H,18,24)(H,20,23)/t14-,15+/m0/s1
InChIKeyDPBNNPYDBHWDLT-LSDHHAIUSA-N
MW335.45 g/mol
LogP0.40
Rot. Bonds7

About N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide

N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 133119467) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID133119467
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCNC(=O)CN1C[C@@H](NC(=O)CCn2cc(C)cn2)[C@H](C(C)C)C1
InChIInChI=1S/C17H29N5O2/c1-12(2)14-9-21(11-17(24)18-4)10-15(14)20-16(23)5-6-22-8-13(3)7-19-22/h7-8,12,14-15H,5-6,9-11H2,1-4H3,(H,18,24)(H,20,23)/t14-,15+/m0/s1
InChIKeyDPBNNPYDBHWDLT-LSDHHAIUSA-N
XLogP0.40
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide (CID 133119467) is N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide is CNC(=O)CN1C[C@@H](NC(=O)CCn2cc(C)cn2)[C@H](C(C)C)C1.
What is the InChIKey of N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is DPBNNPYDBHWDLT-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12(2)14-9-21(11-17(24)18-4)10-15(14)20-16(23)5-6-22-8-13(3)7-19-22/h7-8,12,14-15H,5-6,9-11H2,1-4H3,(H,18,24)(H,20,23)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 335.45 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 133119467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).