N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide

C22H29N5O3 — CID 171386741

IUPACN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccnc(CNC(=O)C[C@H]2CC[C@@H](CNC(=O)c3cocn3)N2CC2CC2)c1
InChIInChI=1S/C22H29N5O3/c1-15-6-7-23-17(8-15)10-24-21(28)9-18-4-5-19(27(18)12-16-2-3-16)11-25-22(29)20-13-30-14-26-20/h6-8,13-14,16,18-19H,2-5,9-12H2,1H3,(H,24,28)(H,25,29)/t18-,19+/m1/s1
InChIKeySHSQKJXGBIKEKP-MOPGFXCFSA-N
MW411.51 g/mol
LogP2.06
Rot. Bonds9

About N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 171386741) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID171386741
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccnc(CNC(=O)C[C@H]2CC[C@@H](CNC(=O)c3cocn3)N2CC2CC2)c1
InChIInChI=1S/C22H29N5O3/c1-15-6-7-23-17(8-15)10-24-21(28)9-18-4-5-19(27(18)12-16-2-3-16)11-25-22(29)20-13-30-14-26-20/h6-8,13-14,16,18-19H,2-5,9-12H2,1H3,(H,24,28)(H,25,29)/t18-,19+/m1/s1
InChIKeySHSQKJXGBIKEKP-MOPGFXCFSA-N
XLogP2.06
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide (CID 171386741) is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide is Cc1ccnc(CNC(=O)C[C@H]2CC[C@@H](CNC(=O)c3cocn3)N2CC2CC2)c1.
What is the InChIKey of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SHSQKJXGBIKEKP-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-15-6-7-23-17(8-15)10-24-21(28)9-18-4-5-19(27(18)12-16-2-3-16)11-25-22(29)20-13-30-14-26-20/h6-8,13-14,16,18-19H,2-5,9-12H2,1H3,(H,24,28)(H,25,29)/t18-,19+/m1/s1.
What are the key properties of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide?
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 171386741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).