N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide

C19H33N5O — CID 126437488

IUPACN-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide
SMILESCCN(CC)CCC[C@H](C)NC(=O)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C19H33N5O/c1-4-22(5-2)11-7-8-17(3)21-19(25)24-14-12-23(13-15-24)18-9-6-10-20-16-18/h6,9-10,16-17H,4-5,7-8,11-15H2,1-3H3,(H,21,25)/t17-/m0/s1
InChIKeyMYDSVBFXIRASFD-KRWDZBQOSA-N
MW347.51 g/mol
LogP2.42
Rot. Bonds8

About N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide

N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 126437488) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID126437488
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide
SMILESCCN(CC)CCC[C@H](C)NC(=O)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C19H33N5O/c1-4-22(5-2)11-7-8-17(3)21-19(25)24-14-12-23(13-15-24)18-9-6-10-20-16-18/h6,9-10,16-17H,4-5,7-8,11-15H2,1-3H3,(H,21,25)/t17-/m0/s1
InChIKeyMYDSVBFXIRASFD-KRWDZBQOSA-N
XLogP2.42
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 674807
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CID 79978
1-(3-Fluorophenyl)-3-(3-pyridyl)urea
CID 853873
1-(Pyridin-3-yl)piperazine
CID 437234
1-Phenyl-3-(pyridin-2-ylmethyl)urea
CID 853198
N,N'-Di-4-pyridinylurea
CID 1082704
N-3-pyridinyl-1-piperidinecarbothioamide
CID 715413
1-Cyclohexyl-3-pyridin-3-ylurea
CID 721806
N-cyclohexyl-N'-[4-(trifluoromethyl)-3-pyridyl]urea
CID 2726849
1-Pyridin-2-ylmethyl-3-[3-(3-pyridin-2-ylmethyl-ureido)-phenyl]-urea
CID 584305
2-(Piperazin-1-yl)pyridin-3-amine
CID 10397358
rac-N1-((3-aminopyridin-2-yl)methyl)-N1-(1-(pyridin-2-yl)ethyl)butane-1,4-diamine
CID 25177632

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide (CID 126437488) is N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide is CCN(CC)CCC[C@H](C)NC(=O)N1CCN(c2cccnc2)CC1.
What is the InChIKey of N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is MYDSVBFXIRASFD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-22(5-2)11-7-8-17(3)21-19(25)24-14-12-23(13-15-24)18-9-6-10-20-16-18/h6,9-10,16-17H,4-5,7-8,11-15H2,1-3H3,(H,21,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide?
N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126437488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).