N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine

C19H20N4O — CID 126701257

IUPACN-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
SMILESc1cc(-c2nc3cc(NCC4CC4)cc4c3n2CCCO4)ccn1
InChIInChI=1S/C19H20N4O/c1-8-23-18-16(22-19(23)14-4-6-20-7-5-14)10-15(11-17(18)24-9-1)21-12-13-2-3-13/h4-7,10-11,13,21H,1-3,8-9,12H2
InChIKeyYUIIFVQPBSGFAM-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.70
Rot. Bonds4

About N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine

N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine (PubChem CID 126701257) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
PubChem CID126701257
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
SMILESc1cc(-c2nc3cc(NCC4CC4)cc4c3n2CCCO4)ccn1
InChIInChI=1S/C19H20N4O/c1-8-23-18-16(22-19(23)14-4-6-20-7-5-14)10-15(11-17(18)24-9-1)21-12-13-2-3-13/h4-7,10-11,13,21H,1-3,8-9,12H2
InChIKeyYUIIFVQPBSGFAM-UHFFFAOYSA-N
XLogP3.70
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-(5-methylsulfanyl-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
CID 155032578
2-(1,3-benzothiazol-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
CID 145271913
3-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]benzamide
CID 155032603
5-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-3H-1,3-benzoxazol-2-one
CID 145271975
2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
CID 126700318
6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-4H-1,4-benzoxazin-3-one
CID 145271889
6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one
CID 145271926
(2S)-2-cyclopropyl-2-[(2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide
CID 126701249
5-[6-(cyclopropylmethoxy)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine
CID 155032378
6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
CID 126700678
N-ethyl-2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
CID 155032495
(2R)-2-[[2-(2-amino-1,3-benzoxazol-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide
CID 126700663

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine (CID 126701257) is N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine is c1cc(-c2nc3cc(NCC4CC4)cc4c3n2CCCO4)ccn1.
What is the InChIKey of N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
The InChIKey is YUIIFVQPBSGFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-8-23-18-16(22-19(23)14-4-6-20-7-5-14)10-15(11-17(18)24-9-1)21-12-13-2-3-13/h4-7,10-11,13,21H,1-3,8-9,12H2.
What are the key properties of N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine has a molecular weight of 320.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-pyridin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine is sourced from PubChem (CID 126701257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).