[6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone

C24H33N7O2 — CID 142640737

IUPAC[6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESCC(C)CNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCNCC3)cn2)CC1
InChIInChI=1S/C24H33N7O2/c1-18(2)16-27-20-4-3-7-26-22(20)29-12-14-31(15-13-29)24(33)21-6-5-19(17-28-21)23(32)30-10-8-25-9-11-30/h3-7,17-18,25,27H,8-16H2,1-2H3
InChIKeyLGFGDDDLFKHFTI-UHFFFAOYSA-N
MW451.58 g/mol
LogP1.55
Rot. Bonds6

About [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone

[6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 142640737) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone
PubChem CID142640737
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC Name[6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESCC(C)CNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCNCC3)cn2)CC1
InChIInChI=1S/C24H33N7O2/c1-18(2)16-27-20-4-3-7-26-22(20)29-12-14-31(15-13-29)24(33)21-6-5-19(17-28-21)23(32)30-10-8-25-9-11-30/h3-7,17-18,25,27H,8-16H2,1-2H3
InChIKeyLGFGDDDLFKHFTI-UHFFFAOYSA-N
XLogP1.55
TPSA93.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone
CID 142640730
N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide
CID 18362862
[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone
CID 142634494
ethyl 2-[[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carbonyl]amino]acetate
CID 142640041
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride
CID 142680752
6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 18362852
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
[5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone
CID 144819088
[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 142677368

Frequently Asked Questions

What is the IUPAC name of [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone (CID 142640737) is [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone is CC(C)CNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCNCC3)cn2)CC1.
What is the InChIKey of [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is LGFGDDDLFKHFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-18(2)16-27-20-4-3-7-26-22(20)29-12-14-31(15-13-29)24(33)21-6-5-19(17-28-21)23(32)30-10-8-25-9-11-30/h3-7,17-18,25,27H,8-16H2,1-2H3.
What are the key properties of [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone?
[6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 451.58 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 142640737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).