N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide

C19H31N5O — CID 136587686

IUPACN-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
SMILESCC1(C)CCN(CCNC(=O)C2CCC(Nc3cnccn3)CC2)C1
InChIInChI=1S/C19H31N5O/c1-19(2)7-11-24(14-19)12-10-22-18(25)15-3-5-16(6-4-15)23-17-13-20-8-9-21-17/h8-9,13,15-16H,3-7,10-12,14H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyPNXHDEBNHGWCTP-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide

N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 136587686) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
PubChem CID136587686
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
SMILESCC1(C)CCN(CCNC(=O)C2CCC(Nc3cnccn3)CC2)C1
InChIInChI=1S/C19H31N5O/c1-19(2)7-11-24(14-19)12-10-22-18(25)15-3-5-16(6-4-15)23-17-13-20-8-9-21-17/h8-9,13,15-16H,3-7,10-12,14H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyPNXHDEBNHGWCTP-UHFFFAOYSA-N
XLogP2.30
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 136586585
4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 170511269
N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 138026646
4-N-pyrazin-2-ylcyclohexane-1,4-diamine
CID 56965635
N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide
CID 38029140
2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
CID 125437337
prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate
CID 89068665
1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide
CID 169414482
N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 86925418
3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 63044232
4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 88963415
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 94099324

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide (CID 136587686) is N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide is CC1(C)CCN(CCNC(=O)C2CCC(Nc3cnccn3)CC2)C1.
What is the InChIKey of N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is PNXHDEBNHGWCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-19(2)7-11-24(14-19)12-10-22-18(25)15-3-5-16(6-4-15)23-17-13-20-8-9-21-17/h8-9,13,15-16H,3-7,10-12,14H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 136587686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).