N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide

About N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide

N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide (PubChem CID 162479497) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide.

Molecular Properties

Compound Name	N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide
PubChem CID	162479497
Molecular Formula	C24H26N6O3
Molecular Weight	446.51 g/mol
Exact Mass	446.21
IUPAC Name	N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide
SMILES	[C-]#[N+]c1ccc2cc(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)[nH]c2c1
InChI	InChI=1S/C24H26N6O3/c1-26-17-7-6-15-11-21(29-19(15)12-17)24(33)30-20(9-14-4-5-14)23(32)28-18(13-25)10-16-3-2-8-27-22(16)31/h6-7,11-12,14,16,18,20,29H,2-5,8-10H2,(H,27,31)(H,28,32)(H,30,33)/t16-,18-,20-/m0/s1
InChIKey	QMEPBIIOEGJJHV-QRFRQXIXSA-N
XLogP	2.54
TPSA	131.24 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide (CID 162479497) is N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide is [C-]#[N+]c1ccc2cc(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)[nH]c2c1.

What is the InChIKey of N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide?

The InChIKey is QMEPBIIOEGJJHV-QRFRQXIXSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-26-17-7-6-15-11-21(29-19(15)12-17)24(33)30-20(9-14-4-5-14)23(32)28-18(13-25)10-16-3-2-8-27-22(16)31/h6-7,11-12,14,16,18,20,29H,2-5,8-10H2,(H,27,31)(H,28,32)(H,30,33)/t16-,18-,20-/m0/s1.

What are the key properties of N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide?

N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.54, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide is sourced from PubChem (CID 162479497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).