N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide

C20H30N6O — CID 146287845

IUPACN-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(C)N2CCCC(CNc3cc(C)nc(C)c3)C2)[nH]n1
InChIInChI=1S/C20H30N6O/c1-13-8-18(9-14(2)22-13)21-11-17-6-5-7-26(12-17)15(3)19-10-20(25-24-19)23-16(4)27/h8-10,15,17H,5-7,11-12H2,1-4H3,(H,21,22)(H2,23,24,25,27)
InChIKeyIYSCBTDOJYPAIP-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.27
Rot. Bonds6

About N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide

N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 146287845) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
PubChem CID146287845
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(C)N2CCCC(CNc3cc(C)nc(C)c3)C2)[nH]n1
InChIInChI=1S/C20H30N6O/c1-13-8-18(9-14(2)22-13)21-11-17-6-5-7-26(12-17)15(3)19-10-20(25-24-19)23-16(4)27/h8-10,15,17H,5-7,11-12H2,1-4H3,(H,21,22)(H2,23,24,25,27)
InChIKeyIYSCBTDOJYPAIP-UHFFFAOYSA-N
XLogP3.27
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
CID 162468301
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride
CID 162331842
N-[[(3S)-1-[(1R)-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;N-[[(3S)-1-[(1S)-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;N-[[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;sulfane
CID 160878735
N-[[(3S)-1-[(1S)-1-(4-bromophenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 100848930
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile
CID 114766146
4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine
CID 146288089
tert-butyl N-[[(3S)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate
CID 98084269
1-[(3R)-3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 95120094
N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 95598555
6-methyl-2-(3-nitrophenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 133305893
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95220651
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide (CID 146287845) is N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1cc(C(C)N2CCCC(CNc3cc(C)nc(C)c3)C2)[nH]n1.
What is the InChIKey of N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
The InChIKey is IYSCBTDOJYPAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-13-8-18(9-14(2)22-13)21-11-17-6-5-7-26(12-17)15(3)19-10-20(25-24-19)23-16(4)27/h8-10,15,17H,5-7,11-12H2,1-4H3,(H,21,22)(H2,23,24,25,27).
What are the key properties of N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 146287845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).