N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C21H27N3O3 — CID 97194159

IUPACN-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCc1cccc2c(C3=CCN(C(=O)NC[C@H]4COCCO4)CC3)c[nH]c12
InChIInChI=1S/C21H27N3O3/c1-2-15-4-3-5-18-19(13-22-20(15)18)16-6-8-24(9-7-16)21(25)23-12-17-14-26-10-11-27-17/h3-6,13,17,22H,2,7-12,14H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyHNFJAOHPYASLRW-KRWDZBQOSA-N
MW369.47 g/mol
LogP2.94
Rot. Bonds4

About N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 97194159) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID97194159
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCc1cccc2c(C3=CCN(C(=O)NC[C@H]4COCCO4)CC3)c[nH]c12
InChIInChI=1S/C21H27N3O3/c1-2-15-4-3-5-18-19(13-22-20(15)18)16-6-8-24(9-7-16)21(25)23-12-17-14-26-10-11-27-17/h3-6,13,17,22H,2,7-12,14H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyHNFJAOHPYASLRW-KRWDZBQOSA-N
XLogP2.94
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 97194159) is N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCc1cccc2c(C3=CCN(C(=O)NC[C@H]4COCCO4)CC3)c[nH]c12.
What is the InChIKey of N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HNFJAOHPYASLRW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-15-4-3-5-18-19(13-22-20(15)18)16-6-8-24(9-7-16)21(25)23-12-17-14-26-10-11-27-17/h3-6,13,17,22H,2,7-12,14H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 97194159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).