[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone

C22H30N4O — CID 28954600

IUPAC[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)nc2)CCN1C(C)C
InChIInChI=1S/C22H30N4O/c1-4-20-16-25(12-13-26(20)17(2)3)22(27)19-10-11-21(24-15-19)23-14-18-8-6-5-7-9-18/h5-11,15,17,20H,4,12-14,16H2,1-3H3,(H,23,24)/t20-/m1/s1
InChIKeyHAGSIPRBUYKDNA-HXUWFJFHSA-N
MW366.51 g/mol
LogP3.64
Rot. Bonds6

About [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone

[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (PubChem CID 28954600) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
PubChem CID28954600
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)nc2)CCN1C(C)C
InChIInChI=1S/C22H30N4O/c1-4-20-16-25(12-13-26(20)17(2)3)22(27)19-10-11-21(24-15-19)23-14-18-8-6-5-7-9-18/h5-11,15,17,20H,4,12-14,16H2,1-3H3,(H,23,24)/t20-/m1/s1
InChIKeyHAGSIPRBUYKDNA-HXUWFJFHSA-N
XLogP3.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone
CID 45191322
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56745157
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109159553
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 29256413
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836
(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97142002
2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide
CID 126434276
[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112628648
[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(2-methylpropylamino)-3-pyridinyl]methanone
CID 109151822
N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146670643
[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 28766355

Frequently Asked Questions

What is the IUPAC name of [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The IUPAC name of [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (CID 28954600) is [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)nc2)CCN1C(C)C.
What is the InChIKey of [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The InChIKey is HAGSIPRBUYKDNA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-20-16-25(12-13-26(20)17(2)3)22(27)19-10-11-21(24-15-19)23-14-18-8-6-5-7-9-18/h5-11,15,17,20H,4,12-14,16H2,1-3H3,(H,23,24)/t20-/m1/s1.
What are the key properties of [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 28954600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).