N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide

C20H27N7O2 — CID 123385956

IUPACN-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cncc(NCC3CCOCC3)n2)ncn1)C1CCCNC1
InChIInChI=1S/C20H27N7O2/c28-20(15-2-1-5-21-10-15)27-18-8-16(24-13-25-18)17-11-22-12-19(26-17)23-9-14-3-6-29-7-4-14/h8,11-15,21H,1-7,9-10H2,(H,23,26)(H,24,25,27,28)
InChIKeyTWUVHQUEJGCLET-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.71
Rot. Bonds6

About N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide

N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 123385956) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID123385956
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC NameN-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cncc(NCC3CCOCC3)n2)ncn1)C1CCCNC1
InChIInChI=1S/C20H27N7O2/c28-20(15-2-1-5-21-10-15)27-18-8-16(24-13-25-18)17-11-22-12-19(26-17)23-9-14-3-6-29-7-4-14/h8,11-15,21H,1-7,9-10H2,(H,23,26)(H,24,25,27,28)
InChIKeyTWUVHQUEJGCLET-UHFFFAOYSA-N
XLogP1.71
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273827
oxan-4-yl-[(3S)-3-[[6-[5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 56650541
2-[1-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]piperidin-4-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 58073659
2-[1-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 58073718
2-[1-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 58073735
N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]oxane-4-carboxamide
CID 138587557
1-[6-[2-Amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
CID 138961887
US11530193, Example 123
CID 150312228
4-(2-anilinopyrimidin-4-yl)-6-morpholino-1H-pyridin-2-one
CID 163200977
(4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97388720
1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 53201088
4-Methyl-2-(3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)pyrimidine
CID 53009993

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide (CID 123385956) is N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide is O=C(Nc1cc(-c2cncc(NCC3CCOCC3)n2)ncn1)C1CCCNC1.
What is the InChIKey of N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is TWUVHQUEJGCLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c28-20(15-2-1-5-21-10-15)27-18-8-16(24-13-25-18)17-11-22-12-19(26-17)23-9-14-3-6-29-7-4-14/h8,11-15,21H,1-7,9-10H2,(H,23,26)(H,24,25,27,28).
What are the key properties of N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 123385956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).