(2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide

C26H29N3O — CID 11761178

IUPAC(2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)NCc2c3c(cc4ccccc24)CCCC3)CCCN1c1ccncc1
InChIInChI=1S/C26H29N3O/c1-26(13-6-16-29(26)21-11-14-27-15-12-21)25(30)28-18-24-22-9-4-2-7-19(22)17-20-8-3-5-10-23(20)24/h2,4,7,9,11-12,14-15,17H,3,5-6,8,10,13,16,18H2,1H3,(H,28,30)/t26-/m0/s1
InChIKeyPNNVWCSKQVXRSI-SANMLTNESA-N
MW399.54 g/mol
LogP4.79
Rot. Bonds4

About (2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide

(2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 11761178) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is (2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID11761178
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name(2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)NCc2c3c(cc4ccccc24)CCCC3)CCCN1c1ccncc1
InChIInChI=1S/C26H29N3O/c1-26(13-6-16-29(26)21-11-14-27-15-12-21)25(30)28-18-24-22-9-4-2-7-19(22)17-20-8-3-5-10-23(20)24/h2,4,7,9,11-12,14-15,17H,3,5-6,8,10,13,16,18H2,1H3,(H,28,30)/t26-/m0/s1
InChIKeyPNNVWCSKQVXRSI-SANMLTNESA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide (CID 11761178) is (2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide is C[C@@]1(C(=O)NCc2c3c(cc4ccccc24)CCCC3)CCCN1c1ccncc1.
What is the InChIKey of (2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is PNNVWCSKQVXRSI-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N3O/c1-26(13-6-16-29(26)21-11-14-27-15-12-21)25(30)28-18-24-22-9-4-2-7-19(22)17-20-8-3-5-10-23(20)24/h2,4,7,9,11-12,14-15,17H,3,5-6,8,10,13,16,18H2,1H3,(H,28,30)/t26-/m0/s1.
What are the key properties of (2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-pyridin-4-yl-N-(1,2,3,4-tetrahydroanthracen-9-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11761178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).